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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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/3po_2-f514789b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3po_2-f514789b/inputs/seq.fa: 1
curr_seq: _CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCAAUCAAACUGUCCUGUUACUGAACACUGUUCUAUGGUUAGUUUUGCAGGUUUGCAUCCAGCUGUGUGAUAUUCUGCUGUGCAAAUCCAUGCAAAACUGACUGUGGUAGUGAAAAGUCUGUAGAAAAGUAAGGGAAACUCAAACCCCUUUCUACACAGGUUGGGAUCGGUUGCAAUGCUGUGUUUCUGUAUGGUAUUGCACUUGUCCCGGCCUGUUGAGUUUGGUGGG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((.(((((((........(((...(((((..(((((((((((((((((((((((((..((((.............)))))))))).)).))))))))))))))))))))))...))).(((((((.....((((..........)))))))))))(((((((((((.(((.(((((((((((......)))))))))))))).)))))))))))...)))))))))))_
nucl1: 63, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 63, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 62, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 62, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 61, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 61, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 60, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 60, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 57, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 56, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 55, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 54, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 53, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 52, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 51, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 50, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 49, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 48, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 47, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 46, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 45, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 44, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 43, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 42, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 41, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 40, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 39, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 38, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 37, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 36, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 35, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 34, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 33, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 30, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 30, chainIndex_2: 0, nuclIndex_2: 108
nucl1: 29, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 29, chainIndex_2: 0, nuclIndex_2: 109
nucl1: 28, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 27, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 26, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 22, chain1: 0, <---> nucl2: 116, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 116
nucl1: 21, chain1: 0, <---> nucl2: 117, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 117
nucl1: 20, chain1: 0, <---> nucl2: 118, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 118
nucl1: 135, chain1: 0, <---> nucl2: 146, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 135, chainIndex_2: 0, nuclIndex_2: 146
nucl1: 134, chain1: 0, <---> nucl2: 147, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 134, chainIndex_2: 0, nuclIndex_2: 147
nucl1: 133, chain1: 0, <---> nucl2: 148, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 133, chainIndex_2: 0, nuclIndex_2: 148
nucl1: 132, chain1: 0, <---> nucl2: 149, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 132, chainIndex_2: 0, nuclIndex_2: 149
nucl1: 126, chain1: 0, <---> nucl2: 150, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 126, chainIndex_2: 0, nuclIndex_2: 150
nucl1: 125, chain1: 0, <---> nucl2: 151, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 125, chainIndex_2: 0, nuclIndex_2: 151
nucl1: 124, chain1: 0, <---> nucl2: 152, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 124, chainIndex_2: 0, nuclIndex_2: 152
nucl1: 123, chain1: 0, <---> nucl2: 153, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 123, chainIndex_2: 0, nuclIndex_2: 153
nucl1: 122, chain1: 0, <---> nucl2: 154, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 122, chainIndex_2: 0, nuclIndex_2: 154
nucl1: 121, chain1: 0, <---> nucl2: 155, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 121, chainIndex_2: 0, nuclIndex_2: 155
nucl1: 120, chain1: 0, <---> nucl2: 156, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 120, chainIndex_2: 0, nuclIndex_2: 156
nucl1: 183, chain1: 0, <---> nucl2: 190, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 183, chainIndex_2: 0, nuclIndex_2: 190
nucl1: 182, chain1: 0, <---> nucl2: 191, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 182, chainIndex_2: 0, nuclIndex_2: 191
nucl1: 181, chain1: 0, <---> nucl2: 192, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 181, chainIndex_2: 0, nuclIndex_2: 192
nucl1: 180, chain1: 0, <---> nucl2: 193, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 180, chainIndex_2: 0, nuclIndex_2: 193
nucl1: 179, chain1: 0, <---> nucl2: 194, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 179, chainIndex_2: 0, nuclIndex_2: 194
nucl1: 178, chain1: 0, <---> nucl2: 195, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 178, chainIndex_2: 0, nuclIndex_2: 195
nucl1: 177, chain1: 0, <---> nucl2: 196, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 177, chainIndex_2: 0, nuclIndex_2: 196
nucl1: 176, chain1: 0, <---> nucl2: 197, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 176, chainIndex_2: 0, nuclIndex_2: 197
nucl1: 175, chain1: 0, <---> nucl2: 198, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 175, chainIndex_2: 0, nuclIndex_2: 198
nucl1: 174, chain1: 0, <---> nucl2: 199, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 174, chainIndex_2: 0, nuclIndex_2: 199
nucl1: 173, chain1: 0, <---> nucl2: 200, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 173, chainIndex_2: 0, nuclIndex_2: 200
nucl1: 171, chain1: 0, <---> nucl2: 201, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 171, chainIndex_2: 0, nuclIndex_2: 201
nucl1: 170, chain1: 0, <---> nucl2: 202, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 170, chainIndex_2: 0, nuclIndex_2: 202
nucl1: 169, chain1: 0, <---> nucl2: 203, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 169, chainIndex_2: 0, nuclIndex_2: 203
nucl1: 167, chain1: 0, <---> nucl2: 205, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 167, chainIndex_2: 0, nuclIndex_2: 205
nucl1: 166, chain1: 0, <---> nucl2: 206, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 166, chainIndex_2: 0, nuclIndex_2: 206
nucl1: 165, chain1: 0, <---> nucl2: 207, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 165, chainIndex_2: 0, nuclIndex_2: 207
nucl1: 164, chain1: 0, <---> nucl2: 208, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 164, chainIndex_2: 0, nuclIndex_2: 208
nucl1: 163, chain1: 0, <---> nucl2: 209, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 163, chainIndex_2: 0, nuclIndex_2: 209
nucl1: 162, chain1: 0, <---> nucl2: 210, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 162, chainIndex_2: 0, nuclIndex_2: 210
nucl1: 161, chain1: 0, <---> nucl2: 211, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 161, chainIndex_2: 0, nuclIndex_2: 211
nucl1: 160, chain1: 0, <---> nucl2: 212, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 160, chainIndex_2: 0, nuclIndex_2: 212
nucl1: 159, chain1: 0, <---> nucl2: 213, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 159, chainIndex_2: 0, nuclIndex_2: 213
nucl1: 158, chain1: 0, <---> nucl2: 214, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 158, chainIndex_2: 0, nuclIndex_2: 214
nucl1: 157, chain1: 0, <---> nucl2: 215, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 157, chainIndex_2: 0, nuclIndex_2: 215
nucl1: 11, chain1: 0, <---> nucl2: 219, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 219
nucl1: 10, chain1: 0, <---> nucl2: 220, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 220
nucl1: 9, chain1: 0, <---> nucl2: 221, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 221
nucl1: 8, chain1: 0, <---> nucl2: 222, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 222
nucl1: 7, chain1: 0, <---> nucl2: 223, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 223
nucl1: 6, chain1: 0, <---> nucl2: 224, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 224
nucl1: 5, chain1: 0, <---> nucl2: 225, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 225
nucl1: 3, chain1: 0, <---> nucl2: 226, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 226
nucl1: 2, chain1: 0, <---> nucl2: 227, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 227
nucl1: 1, chain1: 0, <---> nucl2: 228, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 228
nucl1: 0, chain1: 0, <---> nucl2: 229, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 229
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_DIST_RNA)
chem. 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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_DIST_RNA)
chem. 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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_DIST_RNA)
chem. 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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_DIST_RNA)
chem. 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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_DIST_RNA)
chem. 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: 10776.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 10776.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857860 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 11694.950 (S_DIST_RNA)
chem. 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: -853.119923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.119923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.589747 (E_RNA)
where:
Base-Base interactions energy: -873.951
where: short stacking energy: -398.426
Base-Backbone interact. energy: -0.954
local terms energy: -557.684494
where:
bonds (distance) C4'-P energy: -123.175
bonds (distance) P-C4' energy: -140.813
flat angles C4'-P-C4' energy: -118.927
flat angles P-C4'-P energy: -53.122
tors. eta vs tors. theta energy: -121.647
Dist. restrs. and SS energy: 579.470 (S_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: -544.144723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.144723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.760598 (E_RNA)
where:
Base-Base interactions energy: -777.059
where: short stacking energy: -353.074
Base-Backbone interact. energy: -1.066
local terms energy: -519.635059
where:
bonds (distance) C4'-P energy: -140.667
bonds (distance) P-C4' energy: -141.731
flat angles C4'-P-C4' energy: -83.476
flat angles P-C4'-P energy: -49.416
tors. eta vs tors. theta energy: -104.345
Dist. restrs. and SS energy: 753.616 (S_DIST_RNA)
chem. 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: -654.314445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.314445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.400456 (E_RNA)
where:
Base-Base interactions energy: -802.971
where: short stacking energy: -365.238
Base-Backbone interact. energy: 1.476
local terms energy: -478.905342
where:
bonds (distance) C4'-P energy: -130.172
bonds (distance) P-C4' energy: -129.129
flat angles C4'-P-C4' energy: -90.559
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: -96.430
Dist. restrs. and SS energy: 626.086 (S_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: -666.421145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.421145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.975631 (E_RNA)
where:
Base-Base interactions energy: -790.731
where: short stacking energy: -339.598
Base-Backbone interact. energy: -1.264
local terms energy: -481.979871
where:
bonds (distance) C4'-P energy: -130.416
bonds (distance) P-C4' energy: -149.572
flat angles C4'-P-C4' energy: -92.051
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -77.582
Dist. restrs. and SS energy: 607.554 (S_DIST_RNA)
chem. 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: -893.146190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.146190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.576804 (E_RNA)
where:
Base-Base interactions energy: -801.711
where: short stacking energy: -332.540
Base-Backbone interact. energy: -1.951
local terms energy: -470.914474
where:
bonds (distance) C4'-P energy: -111.685
bonds (distance) P-C4' energy: -131.186
flat angles C4'-P-C4' energy: -102.192
flat angles P-C4'-P energy: -50.797
tors. eta vs tors. theta energy: -75.055
Dist. restrs. and SS energy: 381.431 (S_DIST_RNA)
chem. 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: -958.729096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.729096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.104309 (E_RNA)
where:
Base-Base interactions energy: -771.258
where: short stacking energy: -343.937
Base-Backbone interact. energy: -1.248
local terms energy: -488.598507
where:
bonds (distance) C4'-P energy: -118.944
bonds (distance) P-C4' energy: -115.071
flat angles C4'-P-C4' energy: -107.993
flat angles P-C4'-P energy: -60.081
tors. eta vs tors. theta energy: -86.509
Dist. restrs. and SS energy: 302.375 (S_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: -650.631878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.631878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.945641 (E_RNA)
where:
Base-Base interactions energy: -734.943
where: short stacking energy: -327.291
Base-Backbone interact. energy: -1.613
local terms energy: -460.390018
where:
bonds (distance) C4'-P energy: -123.476
bonds (distance) P-C4' energy: -117.616
flat angles C4'-P-C4' energy: -97.797
flat angles P-C4'-P energy: -32.955
tors. eta vs tors. theta energy: -88.546
Dist. restrs. and SS energy: 546.314 (S_DIST_RNA)
chem. 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: -988.837368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.837368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.114783 (E_RNA)
where:
Base-Base interactions energy: -805.705
where: short stacking energy: -324.064
Base-Backbone interact. energy: -1.582
local terms energy: -416.828204
where:
bonds (distance) C4'-P energy: -111.718
bonds (distance) P-C4' energy: -118.510
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -39.449
tors. eta vs tors. theta energy: -85.973
Dist. restrs. and SS energy: 235.277 (S_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: -873.844506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.844506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.954801 (E_RNA)
where:
Base-Base interactions energy: -736.485
where: short stacking energy: -275.569
Base-Backbone interact. energy: -1.441
local terms energy: -432.028228
where:
bonds (distance) C4'-P energy: -117.370
bonds (distance) P-C4' energy: -105.230
flat angles C4'-P-C4' energy: -82.123
flat angles P-C4'-P energy: -45.572
tors. eta vs tors. theta energy: -81.734
Dist. restrs. and SS energy: 296.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -678.859408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.859408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.178930 (E_RNA)
where:
Base-Base interactions energy: -706.242
where: short stacking energy: -318.530
Base-Backbone interact. energy: -1.693
local terms energy: -440.243186
where:
bonds (distance) C4'-P energy: -98.214
bonds (distance) P-C4' energy: -112.405
flat angles C4'-P-C4' energy: -97.020
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: -94.979
Dist. restrs. and SS energy: 469.320 (S_DIST_RNA)
chem. 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: -1257.574276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.574276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.083305 (E_RNA)
where:
Base-Base interactions energy: -1051.109
where: short stacking energy: -480.588
Base-Backbone interact. energy: -1.409
local terms energy: -576.565185
where:
bonds (distance) C4'-P energy: -129.156
bonds (distance) P-C4' energy: -121.008
flat angles C4'-P-C4' energy: -135.475
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -128.823
Dist. restrs. and SS energy: 371.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1282.244865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.244865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.389346 (E_RNA)
where:
Base-Base interactions energy: -1027.914
where: short stacking energy: -412.701
Base-Backbone interact. energy: -0.433
local terms energy: -593.043007
where:
bonds (distance) C4'-P energy: -145.011
bonds (distance) P-C4' energy: -138.937
flat angles C4'-P-C4' energy: -122.356
flat angles P-C4'-P energy: -69.718
tors. eta vs tors. theta energy: -117.021
Dist. restrs. and SS energy: 339.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1055.021814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.021814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.883137 (E_RNA)
where:
Base-Base interactions energy: -928.378
where: short stacking energy: -368.206
Base-Backbone interact. energy: 0.418
local terms energy: -523.923416
where:
bonds (distance) C4'-P energy: -136.945
bonds (distance) P-C4' energy: -134.489
flat angles C4'-P-C4' energy: -105.275
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: -95.023
Dist. restrs. and SS energy: 396.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1416.832946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.832946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.218156 (E_RNA)
where:
Base-Base interactions energy: -1000.208
where: short stacking energy: -397.457
Base-Backbone interact. energy: -0.688
local terms energy: -563.321732
where:
bonds (distance) C4'-P energy: -140.810
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -117.556
flat angles P-C4'-P energy: -63.992
tors. eta vs tors. theta energy: -104.507
Dist. restrs. and SS energy: 147.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1123.235826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.235826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.837837 (E_RNA)
where:
Base-Base interactions energy: -825.951
where: short stacking energy: -366.323
Base-Backbone interact. energy: -0.968
local terms energy: -539.919606
where:
bonds (distance) C4'-P energy: -137.501
bonds (distance) P-C4' energy: -128.155
flat angles C4'-P-C4' energy: -99.744
flat angles P-C4'-P energy: -59.798
tors. eta vs tors. theta energy: -114.722
Dist. restrs. and SS energy: 243.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1368.041004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.041004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.646456 (E_RNA)
where:
Base-Base interactions energy: -967.749
where: short stacking energy: -431.949
Base-Backbone interact. energy: 1.414
local terms energy: -476.312197
where:
bonds (distance) C4'-P energy: -127.616
bonds (distance) P-C4' energy: -121.221
flat angles C4'-P-C4' energy: -92.686
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -100.779
Dist. restrs. and SS energy: 74.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1025.988623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.988623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.634838 (E_RNA)
where:
Base-Base interactions energy: -854.536
where: short stacking energy: -343.668
Base-Backbone interact. energy: 4.544
local terms energy: -472.642904
where:
bonds (distance) C4'-P energy: -122.191
bonds (distance) P-C4' energy: -124.003
flat angles C4'-P-C4' energy: -91.616
flat angles P-C4'-P energy: -54.252
tors. eta vs tors. theta energy: -80.581
Dist. restrs. and SS energy: 296.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1240.304437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.304437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.626348 (E_RNA)
where:
Base-Base interactions energy: -903.662
where: short stacking energy: -379.798
Base-Backbone interact. energy: -3.360
local terms energy: -479.603466
where:
bonds (distance) C4'-P energy: -130.539
bonds (distance) P-C4' energy: -101.029
flat angles C4'-P-C4' energy: -88.358
flat angles P-C4'-P energy: -59.381
tors. eta vs tors. theta energy: -100.296
Dist. restrs. and SS energy: 146.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1306.487584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.487584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.297458 (E_RNA)
where:
Base-Base interactions energy: -928.830
where: short stacking energy: -401.100
Base-Backbone interact. energy: 6.890
local terms energy: -498.357257
where:
bonds (distance) C4'-P energy: -119.415
bonds (distance) P-C4' energy: -124.764
flat angles C4'-P-C4' energy: -90.870
flat angles P-C4'-P energy: -62.877
tors. eta vs tors. theta energy: -100.431
Dist. restrs. and SS energy: 113.810 (S_DIST_RNA)
chem. 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: -1040.778015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.778015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.826492 (E_RNA)
where:
Base-Base interactions energy: -843.600
where: short stacking energy: -311.178
Base-Backbone interact. energy: 2.286
local terms energy: -433.512485
where:
bonds (distance) C4'-P energy: -100.860
bonds (distance) P-C4' energy: -126.460
flat angles C4'-P-C4' energy: -94.220
flat angles P-C4'-P energy: -33.977
tors. eta vs tors. theta energy: -77.995
Dist. restrs. and SS energy: 234.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1666.126375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.126375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.254880 (E_RNA)
where:
Base-Base interactions energy: -1195.097
where: short stacking energy: -479.839
Base-Backbone interact. energy: -1.051
local terms energy: -644.107387
where:
bonds (distance) C4'-P energy: -146.182
bonds (distance) P-C4' energy: -159.218
flat angles C4'-P-C4' energy: -130.030
flat angles P-C4'-P energy: -73.996
tors. eta vs tors. theta energy: -134.682
Dist. restrs. and SS energy: 174.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1491.980367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.980367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.888535 (E_RNA)
where:
Base-Base interactions energy: -1102.640
where: short stacking energy: -462.801
Base-Backbone interact. energy: -1.580
local terms energy: -608.668045
where:
bonds (distance) C4'-P energy: -147.116
bonds (distance) P-C4' energy: -133.565
flat angles C4'-P-C4' energy: -133.413
flat angles P-C4'-P energy: -79.849
tors. eta vs tors. theta energy: -114.725
Dist. restrs. and SS energy: 220.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1649.449922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.449922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.259167 (E_RNA)
where:
Base-Base interactions energy: -1128.904
where: short stacking energy: -443.907
Base-Backbone interact. energy: -2.980
local terms energy: -599.375145
where:
bonds (distance) C4'-P energy: -131.912
bonds (distance) P-C4' energy: -137.083
flat angles C4'-P-C4' energy: -128.817
flat angles P-C4'-P energy: -82.720
tors. eta vs tors. theta energy: -118.842
Dist. restrs. and SS energy: 81.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1303.293278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.293278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.289363 (E_RNA)
where:
Base-Base interactions energy: -1014.523
where: short stacking energy: -412.282
Base-Backbone interact. energy: -1.869
local terms energy: -550.897659
where:
bonds (distance) C4'-P energy: -121.148
bonds (distance) P-C4' energy: -135.418
flat angles C4'-P-C4' energy: -119.586
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -117.519
Dist. restrs. and SS energy: 263.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1602.331998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.331998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.063111 (E_RNA)
where:
Base-Base interactions energy: -1121.766
where: short stacking energy: -433.090
Base-Backbone interact. energy: -0.251
local terms energy: -542.046158
where:
bonds (distance) C4'-P energy: -131.900
bonds (distance) P-C4' energy: -112.571
flat angles C4'-P-C4' energy: -115.406
flat angles P-C4'-P energy: -64.829
tors. eta vs tors. theta energy: -117.340
Dist. restrs. and SS energy: 61.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1420.212651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.212651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.616869 (E_RNA)
where:
Base-Base interactions energy: -981.068
where: short stacking energy: -411.978
Base-Backbone interact. energy: -3.677
local terms energy: -519.871998
where:
bonds (distance) C4'-P energy: -112.388
bonds (distance) P-C4' energy: -131.130
flat angles C4'-P-C4' energy: -100.326
flat angles P-C4'-P energy: -68.497
tors. eta vs tors. theta energy: -107.531
Dist. restrs. and SS energy: 84.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1606.770292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.770292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.908014 (E_RNA)
where:
Base-Base interactions energy: -1146.424
where: short stacking energy: -462.947
Base-Backbone interact. energy: -0.413
local terms energy: -538.070727
where:
bonds (distance) C4'-P energy: -113.479
bonds (distance) P-C4' energy: -111.065
flat angles C4'-P-C4' energy: -108.042
flat angles P-C4'-P energy: -76.842
tors. eta vs tors. theta energy: -128.643
Dist. restrs. and SS energy: 78.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1201.853670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.853670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.925115 (E_RNA)
where:
Base-Base interactions energy: -894.827
where: short stacking energy: -394.951
Base-Backbone interact. energy: 5.218
local terms energy: -471.315959
where:
bonds (distance) C4'-P energy: -122.572
bonds (distance) P-C4' energy: -102.175
flat angles C4'-P-C4' energy: -89.127
flat angles P-C4'-P energy: -50.694
tors. eta vs tors. theta energy: -106.746
Dist. restrs. and SS energy: 159.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1482.749966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.749966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.894503 (E_RNA)
where:
Base-Base interactions energy: -1016.530
where: short stacking energy: -407.067
Base-Backbone interact. energy: -1.870
local terms energy: -514.494500
where:
bonds (distance) C4'-P energy: -106.588
bonds (distance) P-C4' energy: -110.421
flat angles C4'-P-C4' energy: -133.669
flat angles P-C4'-P energy: -50.225
tors. eta vs tors. theta energy: -113.592
Dist. restrs. and SS energy: 50.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1293.441973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.441973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.095922 (E_RNA)
where:
Base-Base interactions energy: -936.681
where: short stacking energy: -362.703
Base-Backbone interact. energy: -1.708
local terms energy: -469.707182
where:
bonds (distance) C4'-P energy: -108.728
bonds (distance) P-C4' energy: -116.983
flat angles C4'-P-C4' energy: -102.649
flat angles P-C4'-P energy: -39.201
tors. eta vs tors. theta energy: -102.146
Dist. restrs. and SS energy: 114.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1830.147065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.147065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.185441 (E_RNA)
where:
Base-Base interactions energy: -1300.132
where: short stacking energy: -543.572
Base-Backbone interact. energy: 1.249
local terms energy: -644.302274
where:
bonds (distance) C4'-P energy: -139.828
bonds (distance) P-C4' energy: -139.595
flat angles C4'-P-C4' energy: -138.335
flat angles P-C4'-P energy: -90.665
tors. eta vs tors. theta energy: -135.879
Dist. restrs. and SS energy: 113.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1848.475555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.475555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.034458 (E_RNA)
where:
Base-Base interactions energy: -1231.212
where: short stacking energy: -486.596
Base-Backbone interact. energy: -0.244
local terms energy: -650.578226
where:
bonds (distance) C4'-P energy: -157.590
bonds (distance) P-C4' energy: -129.921
flat angles C4'-P-C4' energy: -144.716
flat angles P-C4'-P energy: -81.047
tors. eta vs tors. theta energy: -137.304
Dist. restrs. and SS energy: 33.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1659.249873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.249873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.559576 (E_RNA)
where:
Base-Base interactions energy: -1172.665
where: short stacking energy: -484.737
Base-Backbone interact. energy: -2.752
local terms energy: -594.142658
where:
bonds (distance) C4'-P energy: -146.188
bonds (distance) P-C4' energy: -125.604
flat angles C4'-P-C4' energy: -123.893
flat angles P-C4'-P energy: -73.490
tors. eta vs tors. theta energy: -124.968
Dist. restrs. and SS energy: 110.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1785.966236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.966236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.130830 (E_RNA)
where:
Base-Base interactions energy: -1217.765
where: short stacking energy: -491.583
Base-Backbone interact. energy: -1.816
local terms energy: -599.550383
where:
bonds (distance) C4'-P energy: -113.514
bonds (distance) P-C4' energy: -133.467
flat angles C4'-P-C4' energy: -135.447
flat angles P-C4'-P energy: -96.184
tors. eta vs tors. theta energy: -120.939
Dist. restrs. and SS energy: 33.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1421.205259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.205259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.513902 (E_RNA)
where:
Base-Base interactions energy: -1007.506
where: short stacking energy: -427.240
Base-Backbone interact. energy: -2.379
local terms energy: -564.629318
where:
bonds (distance) C4'-P energy: -139.150
bonds (distance) P-C4' energy: -131.933
flat angles C4'-P-C4' energy: -121.649
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -109.265
Dist. restrs. and SS energy: 153.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1755.350749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.350749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.300924 (E_RNA)
where:
Base-Base interactions energy: -1232.056
where: short stacking energy: -504.474
Base-Backbone interact. energy: 4.195
local terms energy: -580.440063
where:
bonds (distance) C4'-P energy: -120.453
bonds (distance) P-C4' energy: -111.595
flat angles C4'-P-C4' energy: -142.816
flat angles P-C4'-P energy: -68.128
tors. eta vs tors. theta energy: -137.448
Dist. restrs. and SS energy: 52.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1543.185039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.185039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.645692 (E_RNA)
where:
Base-Base interactions energy: -1008.576
where: short stacking energy: -409.902
Base-Backbone interact. energy: -1.647
local terms energy: -585.423249
where:
bonds (distance) C4'-P energy: -137.023
bonds (distance) P-C4' energy: -142.314
flat angles C4'-P-C4' energy: -117.502
flat angles P-C4'-P energy: -70.348
tors. eta vs tors. theta energy: -118.236
Dist. restrs. and SS energy: 52.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1582.464640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.464640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.807382 (E_RNA)
where:
Base-Base interactions energy: -1077.345
where: short stacking energy: -441.913
Base-Backbone interact. energy: 1.010
local terms energy: -558.472151
where:
bonds (distance) C4'-P energy: -124.449
bonds (distance) P-C4' energy: -132.014
flat angles C4'-P-C4' energy: -105.121
flat angles P-C4'-P energy: -66.294
tors. eta vs tors. theta energy: -130.595
Dist. restrs. and SS energy: 52.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1292.489730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.489730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.809962 (E_RNA)
where:
Base-Base interactions energy: -925.005
where: short stacking energy: -329.938
Base-Backbone interact. energy: -3.046
local terms energy: -459.758580
where:
bonds (distance) C4'-P energy: -122.614
bonds (distance) P-C4' energy: -109.995
flat angles C4'-P-C4' energy: -82.915
flat angles P-C4'-P energy: -55.675
tors. eta vs tors. theta energy: -88.560
Dist. restrs. and SS energy: 95.320 (S_DIST_RNA)
chem. 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: -1569.767104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.767104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.323262 (E_RNA)
where:
Base-Base interactions energy: -1066.822
where: short stacking energy: -437.324
Base-Backbone interact. energy: -1.176
local terms energy: -561.325980
where:
bonds (distance) C4'-P energy: -117.146
bonds (distance) P-C4' energy: -140.923
flat angles C4'-P-C4' energy: -108.070
flat angles P-C4'-P energy: -68.928
tors. eta vs tors. theta energy: -126.259
Dist. restrs. and SS energy: 59.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1963.635113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.635113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.910492 (E_RNA)
where:
Base-Base interactions energy: -1335.231
where: short stacking energy: -533.496
Base-Backbone interact. energy: -2.593
local terms energy: -658.086912
where:
bonds (distance) C4'-P energy: -150.612
bonds (distance) P-C4' energy: -142.278
flat angles C4'-P-C4' energy: -144.784
flat angles P-C4'-P energy: -73.730
tors. eta vs tors. theta energy: -146.683
Dist. restrs. and SS energy: 32.275 (S_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: 6
Temperature: 0.950000
Total energy: -1897.558729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.558729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.805075 (E_RNA)
where:
Base-Base interactions energy: -1316.389
where: short stacking energy: -523.016
Base-Backbone interact. energy: -2.777
local terms energy: -640.638985
where:
bonds (distance) C4'-P energy: -138.342
bonds (distance) P-C4' energy: -143.589
flat angles C4'-P-C4' energy: -143.546
flat angles P-C4'-P energy: -72.368
tors. eta vs tors. theta energy: -142.794
Dist. restrs. and SS energy: 62.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1944.603902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.603902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.782658 (E_RNA)
where:
Base-Base interactions energy: -1332.977
where: short stacking energy: -517.265
Base-Backbone interact. energy: 1.148
local terms energy: -629.953599
where:
bonds (distance) C4'-P energy: -152.593
bonds (distance) P-C4' energy: -140.620
flat angles C4'-P-C4' energy: -127.689
flat angles P-C4'-P energy: -73.589
tors. eta vs tors. theta energy: -135.462
Dist. restrs. and SS energy: 17.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1667.212140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.212140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.041716 (E_RNA)
where:
Base-Base interactions energy: -1169.793
where: short stacking energy: -514.731
Base-Backbone interact. energy: -0.567
local terms energy: -574.681865
where:
bonds (distance) C4'-P energy: -108.897
bonds (distance) P-C4' energy: -135.502
flat angles C4'-P-C4' energy: -129.278
flat angles P-C4'-P energy: -77.383
tors. eta vs tors. theta energy: -123.622
Dist. restrs. and SS energy: 77.830 (S_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: 6
Temperature: 1.100000
Total energy: -1913.321550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.321550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.584857 (E_RNA)
where:
Base-Base interactions energy: -1325.454
where: short stacking energy: -546.866
Base-Backbone interact. energy: 1.505
local terms energy: -619.636565
where:
bonds (distance) C4'-P energy: -124.078
bonds (distance) P-C4' energy: -135.589
flat angles C4'-P-C4' energy: -119.758
flat angles P-C4'-P energy: -77.612
tors. eta vs tors. theta energy: -162.598
Dist. restrs. and SS energy: 30.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1510.700435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.700435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.328155 (E_RNA)
where:
Base-Base interactions energy: -1064.784
where: short stacking energy: -435.208
Base-Backbone interact. energy: 0.509
local terms energy: -556.053558
where:
bonds (distance) C4'-P energy: -118.197
bonds (distance) P-C4' energy: -127.002
flat angles C4'-P-C4' energy: -129.078
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -120.214
Dist. restrs. and SS energy: 109.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1712.688448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.688448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.840822 (E_RNA)
where:
Base-Base interactions energy: -1167.961
where: short stacking energy: -491.865
Base-Backbone interact. energy: -1.636
local terms energy: -593.243558
where:
bonds (distance) C4'-P energy: -121.217
bonds (distance) P-C4' energy: -132.981
flat angles C4'-P-C4' energy: -109.267
flat angles P-C4'-P energy: -93.982
tors. eta vs tors. theta energy: -135.796
Dist. restrs. and SS energy: 50.152 (S_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: 6
Temperature: 1.250000
Total energy: -1490.796339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.796339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.082502 (E_RNA)
where:
Base-Base interactions energy: -1020.301
where: short stacking energy: -394.083
Base-Backbone interact. energy: 0.328
local terms energy: -516.110337
where:
bonds (distance) C4'-P energy: -116.220
bonds (distance) P-C4' energy: -108.662
flat angles C4'-P-C4' energy: -112.822
flat angles P-C4'-P energy: -61.584
tors. eta vs tors. theta energy: -116.821
Dist. restrs. and SS energy: 45.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1621.152988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.152988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.138915 (E_RNA)
where:
Base-Base interactions energy: -1114.457
where: short stacking energy: -446.483
Base-Backbone interact. energy: -0.812
local terms energy: -546.870207
where:
bonds (distance) C4'-P energy: -92.088
bonds (distance) P-C4' energy: -122.818
flat angles C4'-P-C4' energy: -134.085
flat angles P-C4'-P energy: -60.440
tors. eta vs tors. theta energy: -137.440
Dist. restrs. and SS energy: 40.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1264.832974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.832974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.574303 (E_RNA)
where:
Base-Base interactions energy: -873.607
where: short stacking energy: -344.228
Base-Backbone interact. energy: -2.691
local terms energy: -495.277134
where:
bonds (distance) C4'-P energy: -126.944
bonds (distance) P-C4' energy: -119.233
flat angles C4'-P-C4' energy: -120.899
flat angles P-C4'-P energy: -47.747
tors. eta vs tors. theta energy: -80.454
Dist. restrs. and SS energy: 106.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1999.097876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.097876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.166095 (E_RNA)
where:
Base-Base interactions energy: -1375.639
where: short stacking energy: -564.330
Base-Backbone interact. energy: -2.444
local terms energy: -653.083077
where:
bonds (distance) C4'-P energy: -131.348
bonds (distance) P-C4' energy: -149.652
flat angles C4'-P-C4' energy: -146.750
flat angles P-C4'-P energy: -85.404
tors. eta vs tors. theta energy: -139.929
Dist. restrs. and SS energy: 32.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -2055.548167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.548167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.357393 (E_RNA)
where:
Base-Base interactions energy: -1413.620
where: short stacking energy: -577.397
Base-Backbone interact. energy: -1.445
local terms energy: -657.291892
where:
bonds (distance) C4'-P energy: -124.324
bonds (distance) P-C4' energy: -148.992
flat angles C4'-P-C4' energy: -123.367
flat angles P-C4'-P energy: -98.209
tors. eta vs tors. theta energy: -162.400
Dist. restrs. and SS energy: 16.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1905.345964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.345964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.782525 (E_RNA)
where:
Base-Base interactions energy: -1306.294
where: short stacking energy: -547.459
Base-Backbone interact. energy: -2.199
local terms energy: -638.289698
where:
bonds (distance) C4'-P energy: -146.739
bonds (distance) P-C4' energy: -131.762
flat angles C4'-P-C4' energy: -145.693
flat angles P-C4'-P energy: -73.152
tors. eta vs tors. theta energy: -140.943
Dist. restrs. and SS energy: 41.437 (S_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: 7
Temperature: 1.050000
Total energy: -2011.741313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.741313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.446259 (E_RNA)
where:
Base-Base interactions energy: -1383.348
where: short stacking energy: -555.288
Base-Backbone interact. energy: -0.730
local terms energy: -652.367623
where:
bonds (distance) C4'-P energy: -125.463
bonds (distance) P-C4' energy: -122.388
flat angles C4'-P-C4' energy: -146.086
flat angles P-C4'-P energy: -99.145
tors. eta vs tors. theta energy: -159.285
Dist. restrs. and SS energy: 24.705 (S_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: 7
Temperature: 1.100000
Total energy: -1759.293143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.293143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.109268 (E_RNA)
where:
Base-Base interactions energy: -1209.692
where: short stacking energy: -466.862
Base-Backbone interact. energy: -1.136
local terms energy: -603.281253
where:
bonds (distance) C4'-P energy: -128.110
bonds (distance) P-C4' energy: -137.200
flat angles C4'-P-C4' energy: -119.689
flat angles P-C4'-P energy: -84.426
tors. eta vs tors. theta energy: -133.856
Dist. restrs. and SS energy: 54.816 (S_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: 7
Temperature: 1.150000
Total energy: -1800.525905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.525905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.480564 (E_RNA)
where:
Base-Base interactions energy: -1226.019
where: short stacking energy: -475.907
Base-Backbone interact. energy: -0.198
local terms energy: -609.262903
where:
bonds (distance) C4'-P energy: -124.687
bonds (distance) P-C4' energy: -134.897
flat angles C4'-P-C4' energy: -123.215
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: -144.914
Dist. restrs. and SS energy: 34.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1567.825836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.825836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.808205 (E_RNA)
where:
Base-Base interactions energy: -1087.957
where: short stacking energy: -447.083
Base-Backbone interact. energy: -1.775
local terms energy: -538.076132
where:
bonds (distance) C4'-P energy: -106.190
bonds (distance) P-C4' energy: -124.646
flat angles C4'-P-C4' energy: -129.217
flat angles P-C4'-P energy: -61.181
tors. eta vs tors. theta energy: -116.842
Dist. restrs. and SS energy: 59.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1746.920405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.920405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.329729 (E_RNA)
where:
Base-Base interactions energy: -1202.838
where: short stacking energy: -479.351
Base-Backbone interact. energy: -1.648
local terms energy: -583.843501
where:
bonds (distance) C4'-P energy: -112.903
bonds (distance) P-C4' energy: -130.531
flat angles C4'-P-C4' energy: -125.884
flat angles P-C4'-P energy: -79.345
tors. eta vs tors. theta energy: -135.180
Dist. restrs. and SS energy: 41.409 (S_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: 7
Temperature: 1.300000
Total energy: -1480.170761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.170761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.389674 (E_RNA)
where:
Base-Base interactions energy: -1029.374
where: short stacking energy: -408.606
Base-Backbone interact. energy: -1.195
local terms energy: -500.821556
where:
bonds (distance) C4'-P energy: -98.310
bonds (distance) P-C4' energy: -108.173
flat angles C4'-P-C4' energy: -111.930
flat angles P-C4'-P energy: -57.364
tors. eta vs tors. theta energy: -125.045
Dist. restrs. and SS energy: 51.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1416.683064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.683064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.603882 (E_RNA)
where:
Base-Base interactions energy: -945.535
where: short stacking energy: -359.639
Base-Backbone interact. energy: 0.548
local terms energy: -541.616843
where:
bonds (distance) C4'-P energy: -126.741
bonds (distance) P-C4' energy: -149.718
flat angles C4'-P-C4' energy: -100.488
flat angles P-C4'-P energy: -66.072
tors. eta vs tors. theta energy: -98.598
Dist. restrs. and SS energy: 69.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -2165.139023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.139023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.452965 (E_RNA)
where:
Base-Base interactions energy: -1481.063
where: short stacking energy: -616.326
Base-Backbone interact. energy: -1.149
local terms energy: -705.240707
where:
bonds (distance) C4'-P energy: -128.359
bonds (distance) P-C4' energy: -147.004
flat angles C4'-P-C4' energy: -165.976
flat angles P-C4'-P energy: -102.078
tors. eta vs tors. theta energy: -161.824
Dist. restrs. and SS energy: 22.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1940.146089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.146089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.904312 (E_RNA)
where:
Base-Base interactions energy: -1324.163
where: short stacking energy: -530.817
Base-Backbone interact. energy: -1.608
local terms energy: -645.133676
where:
bonds (distance) C4'-P energy: -136.252
bonds (distance) P-C4' energy: -133.076
flat angles C4'-P-C4' energy: -148.621
flat angles P-C4'-P energy: -91.843
tors. eta vs tors. theta energy: -135.342
Dist. restrs. and SS energy: 30.758 (S_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: 8
Temperature: 1.000000
Total energy: -2105.031651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.031651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.643651 (E_RNA)
where:
Base-Base interactions energy: -1497.351
where: short stacking energy: -588.065
Base-Backbone interact. energy: -0.595
local terms energy: -628.697597
where:
bonds (distance) C4'-P energy: -126.770
bonds (distance) P-C4' energy: -112.479
flat angles C4'-P-C4' energy: -135.893
flat angles P-C4'-P energy: -77.550
tors. eta vs tors. theta energy: -176.005
Dist. restrs. and SS energy: 21.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1870.203592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.203592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.270188 (E_RNA)
where:
Base-Base interactions energy: -1280.243
where: short stacking energy: -515.157
Base-Backbone interact. energy: -1.931
local terms energy: -630.096361
where:
bonds (distance) C4'-P energy: -139.677
bonds (distance) P-C4' energy: -123.749
flat angles C4'-P-C4' energy: -139.598
flat angles P-C4'-P energy: -85.164
tors. eta vs tors. theta energy: -141.909
Dist. restrs. and SS energy: 42.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1935.350855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.350855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.900156 (E_RNA)
where:
Base-Base interactions energy: -1321.578
where: short stacking energy: -526.115
Base-Backbone interact. energy: -1.037
local terms energy: -642.285585
where:
bonds (distance) C4'-P energy: -126.738
bonds (distance) P-C4' energy: -138.286
flat angles C4'-P-C4' energy: -144.020
flat angles P-C4'-P energy: -84.759
tors. eta vs tors. theta energy: -148.482
Dist. restrs. and SS energy: 29.549 (S_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: 8
Temperature: 1.150000
Total energy: -1699.707365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.707365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.494168 (E_RNA)
where:
Base-Base interactions energy: -1208.420
where: short stacking energy: -492.010
Base-Backbone interact. energy: -0.756
local terms energy: -536.317924
where:
bonds (distance) C4'-P energy: -114.614
bonds (distance) P-C4' energy: -116.802
flat angles C4'-P-C4' energy: -117.645
flat angles P-C4'-P energy: -68.465
tors. eta vs tors. theta energy: -118.793
Dist. restrs. and SS energy: 45.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1863.597854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.597854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.794372 (E_RNA)
where:
Base-Base interactions energy: -1272.862
where: short stacking energy: -505.702
Base-Backbone interact. energy: -1.090
local terms energy: -611.842516
where:
bonds (distance) C4'-P energy: -130.486
bonds (distance) P-C4' energy: -121.519
flat angles C4'-P-C4' energy: -126.550
flat angles P-C4'-P energy: -89.897
tors. eta vs tors. theta energy: -143.390
Dist. restrs. and SS energy: 22.197 (S_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: 8
Temperature: 1.250000
Total energy: -1555.764354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.764354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.863154 (E_RNA)
where:
Base-Base interactions energy: -1078.717
where: short stacking energy: -462.372
Base-Backbone interact. energy: -3.513
local terms energy: -535.633148
where:
bonds (distance) C4'-P energy: -107.313
bonds (distance) P-C4' energy: -116.677
flat angles C4'-P-C4' energy: -126.616
flat angles P-C4'-P energy: -76.601
tors. eta vs tors. theta energy: -108.425
Dist. restrs. and SS energy: 62.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1556.961548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.961548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.965649 (E_RNA)
where:
Base-Base interactions energy: -1075.877
where: short stacking energy: -415.164
Base-Backbone interact. energy: -0.766
local terms energy: -534.323156
where:
bonds (distance) C4'-P energy: -114.182
bonds (distance) P-C4' energy: -121.606
flat angles C4'-P-C4' energy: -108.571
flat angles P-C4'-P energy: -55.493
tors. eta vs tors. theta energy: -134.470
Dist. restrs. and SS energy: 54.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1523.716120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.716120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.107697 (E_RNA)
where:
Base-Base interactions energy: -1090.807
where: short stacking energy: -434.431
Base-Backbone interact. energy: -0.806
local terms energy: -493.494661
where:
bonds (distance) C4'-P energy: -94.381
bonds (distance) P-C4' energy: -118.220
flat angles C4'-P-C4' energy: -103.496
flat angles P-C4'-P energy: -68.033
tors. eta vs tors. theta energy: -109.364
Dist. restrs. and SS energy: 61.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -2169.478964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.478964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.739955 (E_RNA)
where:
Base-Base interactions energy: -1487.702
where: short stacking energy: -610.777
Base-Backbone interact. energy: -0.654
local terms energy: -699.384353
where:
bonds (distance) C4'-P energy: -138.008
bonds (distance) P-C4' energy: -157.194
flat angles C4'-P-C4' energy: -139.615
flat angles P-C4'-P energy: -95.390
tors. eta vs tors. theta energy: -169.178
Dist. restrs. and SS energy: 18.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -2208.525863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.525863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.943729 (E_RNA)
where:
Base-Base interactions energy: -1546.113
where: short stacking energy: -637.864
Base-Backbone interact. energy: -1.009
local terms energy: -687.822167
where:
bonds (distance) C4'-P energy: -135.044
bonds (distance) P-C4' energy: -133.092
flat angles C4'-P-C4' energy: -145.899
flat angles P-C4'-P energy: -92.734
tors. eta vs tors. theta energy: -181.053
Dist. restrs. and SS energy: 26.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1954.248520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.248520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.531614 (E_RNA)
where:
Base-Base interactions energy: -1360.259
where: short stacking energy: -523.702
Base-Backbone interact. energy: -1.631
local terms energy: -616.641007
where:
bonds (distance) C4'-P energy: -115.443
bonds (distance) P-C4' energy: -139.946
flat angles C4'-P-C4' energy: -125.969
flat angles P-C4'-P energy: -89.767
tors. eta vs tors. theta energy: -145.515
Dist. restrs. and SS energy: 24.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1952.453663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.453663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.380181 (E_RNA)
where:
Base-Base interactions energy: -1366.820
where: short stacking energy: -574.657
Base-Backbone interact. energy: -0.296
local terms energy: -628.264284
where:
bonds (distance) C4'-P energy: -113.430
bonds (distance) P-C4' energy: -133.838
flat angles C4'-P-C4' energy: -135.592
flat angles P-C4'-P energy: -94.169
tors. eta vs tors. theta energy: -151.236
Dist. restrs. and SS energy: 42.927 (S_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: 9
Temperature: 1.100000
Total energy: -1963.471936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.471936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.199524 (E_RNA)
where:
Base-Base interactions energy: -1369.320
where: short stacking energy: -557.109
Base-Backbone interact. energy: 0.942
local terms energy: -622.821358
where:
bonds (distance) C4'-P energy: -122.286
bonds (distance) P-C4' energy: -114.568
flat angles C4'-P-C4' energy: -141.340
flat angles P-C4'-P energy: -78.398
tors. eta vs tors. theta energy: -166.229
Dist. restrs. and SS energy: 27.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1920.037740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.037740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.124011 (E_RNA)
where:
Base-Base interactions energy: -1334.976
where: short stacking energy: -526.070
Base-Backbone interact. energy: -0.139
local terms energy: -607.009122
where:
bonds (distance) C4'-P energy: -129.566
bonds (distance) P-C4' energy: -135.750
flat angles C4'-P-C4' energy: -119.308
flat angles P-C4'-P energy: -71.012
tors. eta vs tors. theta energy: -151.373
Dist. restrs. and SS energy: 22.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1677.074592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.074592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.904050 (E_RNA)
where:
Base-Base interactions energy: -1157.179
where: short stacking energy: -481.845
Base-Backbone interact. energy: -1.807
local terms energy: -558.917931
where:
bonds (distance) C4'-P energy: -127.787
bonds (distance) P-C4' energy: -112.814
flat angles C4'-P-C4' energy: -121.306
flat angles P-C4'-P energy: -62.572
tors. eta vs tors. theta energy: -134.439
Dist. restrs. and SS energy: 40.829 (S_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: 9
Temperature: 1.250000
Total energy: -1701.087646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.087646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.453286 (E_RNA)
where:
Base-Base interactions energy: -1188.913
where: short stacking energy: -471.692
Base-Backbone interact. energy: -1.387
local terms energy: -559.153354
where:
bonds (distance) C4'-P energy: -120.092
bonds (distance) P-C4' energy: -117.114
flat angles C4'-P-C4' energy: -115.790
flat angles P-C4'-P energy: -74.302
tors. eta vs tors. theta energy: -131.855
Dist. restrs. and SS energy: 48.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1525.950106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.950106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.836302 (E_RNA)
where:
Base-Base interactions energy: -1082.425
where: short stacking energy: -433.941
Base-Backbone interact. energy: 1.180
local terms energy: -511.590720
where:
bonds (distance) C4'-P energy: -116.962
bonds (distance) P-C4' energy: -117.917
flat angles C4'-P-C4' energy: -100.847
flat angles P-C4'-P energy: -60.846
tors. eta vs tors. theta energy: -115.019
Dist. restrs. and SS energy: 66.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1506.425828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.425828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.818230 (E_RNA)
where:
Base-Base interactions energy: -1072.092
where: short stacking energy: -427.805
Base-Backbone interact. energy: -1.465
local terms energy: -504.261811
where:
bonds (distance) C4'-P energy: -110.985
bonds (distance) P-C4' energy: -109.604
flat angles C4'-P-C4' energy: -101.637
flat angles P-C4'-P energy: -65.557
tors. eta vs tors. theta energy: -116.479
Dist. restrs. and SS energy: 71.392 (S_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: 10
Temperature: 0.900000
Total energy: -2309.997646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.997646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.299972 (E_RNA)
where:
Base-Base interactions energy: -1626.531
where: short stacking energy: -632.009
Base-Backbone interact. energy: -0.041
local terms energy: -706.728012
where:
bonds (distance) C4'-P energy: -142.171
bonds (distance) P-C4' energy: -151.490
flat angles C4'-P-C4' energy: -142.548
flat angles P-C4'-P energy: -91.649
tors. eta vs tors. theta energy: -178.871
Dist. restrs. and SS energy: 23.302 (S_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: 10
Temperature: 0.950000
Total energy: -2136.245716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.245716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.470492 (E_RNA)
where:
Base-Base interactions energy: -1473.711
where: short stacking energy: -621.490
Base-Backbone interact. energy: -1.655
local terms energy: -684.105066
where:
bonds (distance) C4'-P energy: -122.244
bonds (distance) P-C4' energy: -140.207
flat angles C4'-P-C4' energy: -147.804
flat angles P-C4'-P energy: -102.759
tors. eta vs tors. theta energy: -171.091
Dist. restrs. and SS energy: 23.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2085.679722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.679722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.554530 (E_RNA)
where:
Base-Base interactions energy: -1483.465
where: short stacking energy: -601.408
Base-Backbone interact. energy: -1.298
local terms energy: -626.792141
where:
bonds (distance) C4'-P energy: -126.625
bonds (distance) P-C4' energy: -112.155
flat angles C4'-P-C4' energy: -130.385
flat angles P-C4'-P energy: -90.556
tors. eta vs tors. theta energy: -167.071
Dist. restrs. and SS energy: 25.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1891.909901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.909901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.739547 (E_RNA)
where:
Base-Base interactions energy: -1303.483
where: short stacking energy: -506.937
Base-Backbone interact. energy: -3.798
local terms energy: -610.458954
where:
bonds (distance) C4'-P energy: -132.100
bonds (distance) P-C4' energy: -127.787
flat angles C4'-P-C4' energy: -142.218
flat angles P-C4'-P energy: -69.377
tors. eta vs tors. theta energy: -138.977
Dist. restrs. and SS energy: 25.830 (S_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: 10
Temperature: 1.100000
Total energy: -2011.661773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.661773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.343344 (E_RNA)
where:
Base-Base interactions energy: -1379.598
where: short stacking energy: -554.060
Base-Backbone interact. energy: 3.018
local terms energy: -655.763243
where:
bonds (distance) C4'-P energy: -116.264
bonds (distance) P-C4' energy: -126.440
flat angles C4'-P-C4' energy: -137.566
flat angles P-C4'-P energy: -100.651
tors. eta vs tors. theta energy: -174.843
Dist. restrs. and SS energy: 20.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1964.982570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.982570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.671958 (E_RNA)
where:
Base-Base interactions energy: -1400.951
where: short stacking energy: -576.725
Base-Backbone interact. energy: 0.815
local terms energy: -597.536057
where:
bonds (distance) C4'-P energy: -108.130
bonds (distance) P-C4' energy: -115.324
flat angles C4'-P-C4' energy: -141.581
flat angles P-C4'-P energy: -81.077
tors. eta vs tors. theta energy: -151.424
Dist. restrs. and SS energy: 32.689 (S_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: 10
Temperature: 1.200000
Total energy: -1827.615832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.615832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.702453 (E_RNA)
where:
Base-Base interactions energy: -1299.154
where: short stacking energy: -503.213
Base-Backbone interact. energy: -1.502
local terms energy: -563.046737
where:
bonds (distance) C4'-P energy: -116.397
bonds (distance) P-C4' energy: -115.647
flat angles C4'-P-C4' energy: -115.596
flat angles P-C4'-P energy: -77.092
tors. eta vs tors. theta energy: -138.314
Dist. restrs. and SS energy: 36.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1606.718821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.718821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.616638 (E_RNA)
where:
Base-Base interactions energy: -1099.525
where: short stacking energy: -444.390
Base-Backbone interact. energy: -0.662
local terms energy: -553.429354
where:
bonds (distance) C4'-P energy: -114.655
bonds (distance) P-C4' energy: -114.162
flat angles C4'-P-C4' energy: -126.573
flat angles P-C4'-P energy: -70.136
tors. eta vs tors. theta energy: -127.904
Dist. restrs. and SS energy: 46.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1651.299950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.299950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.269894 (E_RNA)
where:
Base-Base interactions energy: -1186.561
where: short stacking energy: -474.166
Base-Backbone interact. energy: 6.835
local terms energy: -523.544300
where:
bonds (distance) C4'-P energy: -113.386
bonds (distance) P-C4' energy: -105.515
flat angles C4'-P-C4' energy: -127.248
flat angles P-C4'-P energy: -50.281
tors. eta vs tors. theta energy: -127.114
Dist. restrs. and SS energy: 51.970 (S_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: 10
Temperature: 1.350000
Total energy: -1456.555660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.555660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.461981 (E_RNA)
where:
Base-Base interactions energy: -1032.691
where: short stacking energy: -423.707
Base-Backbone interact. energy: 1.070
local terms energy: -509.841617
where:
bonds (distance) C4'-P energy: -130.076
bonds (distance) P-C4' energy: -111.204
flat angles C4'-P-C4' energy: -111.158
flat angles P-C4'-P energy: -49.356
tors. eta vs tors. theta energy: -108.049
Dist. restrs. and SS energy: 84.906 (S_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: 11
Temperature: 0.900000
Total energy: -2336.244179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.244179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.166641 (E_RNA)
where:
Base-Base interactions energy: -1652.464
where: short stacking energy: -666.880
Base-Backbone interact. energy: -0.840
local terms energy: -708.862550
where:
bonds (distance) C4'-P energy: -140.833
bonds (distance) P-C4' energy: -142.371
flat angles C4'-P-C4' energy: -153.261
flat angles P-C4'-P energy: -95.190
tors. eta vs tors. theta energy: -177.207
Dist. restrs. and SS energy: 25.922 (S_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: 11
Temperature: 0.950000
Total energy: -2199.909147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.909147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.320219 (E_RNA)
where:
Base-Base interactions energy: -1527.636
where: short stacking energy: -612.246
Base-Backbone interact. energy: -1.526
local terms energy: -691.158751
where:
bonds (distance) C4'-P energy: -140.658
bonds (distance) P-C4' energy: -142.361
flat angles C4'-P-C4' energy: -141.227
flat angles P-C4'-P energy: -99.850
tors. eta vs tors. theta energy: -167.064
Dist. restrs. and SS energy: 20.411 (S_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: 11
Temperature: 1.000000
Total energy: -2094.761203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.761203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.013436 (E_RNA)
where:
Base-Base interactions energy: -1458.789
where: short stacking energy: -592.208
Base-Backbone interact. energy: 1.205
local terms energy: -661.429164
where:
bonds (distance) C4'-P energy: -130.927
bonds (distance) P-C4' energy: -131.491
flat angles C4'-P-C4' energy: -141.957
flat angles P-C4'-P energy: -98.604
tors. eta vs tors. theta energy: -158.450
Dist. restrs. and SS energy: 24.252 (S_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: 11
Temperature: 1.050000
Total energy: -2086.771295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.771295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.658212 (E_RNA)
where:
Base-Base interactions energy: -1445.290
where: short stacking energy: -559.667
Base-Backbone interact. energy: -2.746
local terms energy: -658.621557
where:
bonds (distance) C4'-P energy: -137.138
bonds (distance) P-C4' energy: -141.132
flat angles C4'-P-C4' energy: -145.253
flat angles P-C4'-P energy: -70.936
tors. eta vs tors. theta energy: -164.163
Dist. restrs. and SS energy: 19.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1865.637948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.637948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.036615 (E_RNA)
where:
Base-Base interactions energy: -1286.462
where: short stacking energy: -516.581
Base-Backbone interact. energy: 0.499
local terms energy: -612.072887
where:
bonds (distance) C4'-P energy: -129.499
bonds (distance) P-C4' energy: -130.275
flat angles C4'-P-C4' energy: -130.514
flat angles P-C4'-P energy: -77.865
tors. eta vs tors. theta energy: -143.920
Dist. restrs. and SS energy: 32.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1943.147189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.147189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.706149 (E_RNA)
where:
Base-Base interactions energy: -1353.401
where: short stacking energy: -551.859
Base-Backbone interact. energy: -2.177
local terms energy: -611.128120
where:
bonds (distance) C4'-P energy: -126.031
bonds (distance) P-C4' energy: -124.130
flat angles C4'-P-C4' energy: -123.477
flat angles P-C4'-P energy: -73.077
tors. eta vs tors. theta energy: -164.413
Dist. restrs. and SS energy: 23.559 (S_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: 11
Temperature: 1.200000
Total energy: -1847.558168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.558168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.745929 (E_RNA)
where:
Base-Base interactions energy: -1272.357
where: short stacking energy: -517.246
Base-Backbone interact. energy: -2.118
local terms energy: -603.271311
where:
bonds (distance) C4'-P energy: -121.565
bonds (distance) P-C4' energy: -120.248
flat angles C4'-P-C4' energy: -130.338
flat angles P-C4'-P energy: -81.015
tors. eta vs tors. theta energy: -150.106
Dist. restrs. and SS energy: 30.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1688.536813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.536813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.678580 (E_RNA)
where:
Base-Base interactions energy: -1170.356
where: short stacking energy: -470.597
Base-Backbone interact. energy: -0.997
local terms energy: -546.325842
where:
bonds (distance) C4'-P energy: -119.429
bonds (distance) P-C4' energy: -117.140
flat angles C4'-P-C4' energy: -134.249
flat angles P-C4'-P energy: -47.598
tors. eta vs tors. theta energy: -127.910
Dist. restrs. and SS energy: 29.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1723.206009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.206009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.530648 (E_RNA)
where:
Base-Base interactions energy: -1191.871
where: short stacking energy: -481.718
Base-Backbone interact. energy: -1.019
local terms energy: -573.641384
where:
bonds (distance) C4'-P energy: -114.073
bonds (distance) P-C4' energy: -124.315
flat angles C4'-P-C4' energy: -117.142
flat angles P-C4'-P energy: -63.006
tors. eta vs tors. theta energy: -155.105
Dist. restrs. and SS energy: 43.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1479.709484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.709484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.434386 (E_RNA)
where:
Base-Base interactions energy: -1039.001
where: short stacking energy: -440.971
Base-Backbone interact. energy: 1.568
local terms energy: -511.001915
where:
bonds (distance) C4'-P energy: -125.935
bonds (distance) P-C4' energy: -100.937
flat angles C4'-P-C4' energy: -106.947
flat angles P-C4'-P energy: -64.309
tors. eta vs tors. theta energy: -112.874
Dist. restrs. and SS energy: 68.725 (S_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: 12
Temperature: 0.900000
Total energy: -2324.850949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.850949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.742648 (E_RNA)
where:
Base-Base interactions energy: -1624.239
where: short stacking energy: -654.887
Base-Backbone interact. energy: -0.862
local terms energy: -722.641092
where:
bonds (distance) C4'-P energy: -134.552
bonds (distance) P-C4' energy: -154.868
flat angles C4'-P-C4' energy: -150.347
flat angles P-C4'-P energy: -92.274
tors. eta vs tors. theta energy: -190.601
Dist. restrs. and SS energy: 22.892 (S_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: 12
Temperature: 0.950000
Total energy: -2194.569650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.569650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.506710 (E_RNA)
where:
Base-Base interactions energy: -1548.060
where: short stacking energy: -608.419
Base-Backbone interact. energy: -1.611
local terms energy: -664.836204
where:
bonds (distance) C4'-P energy: -124.370
bonds (distance) P-C4' energy: -131.931
flat angles C4'-P-C4' energy: -139.609
flat angles P-C4'-P energy: -93.679
tors. eta vs tors. theta energy: -175.248
Dist. restrs. and SS energy: 19.937 (S_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: 12
Temperature: 1.000000
Total energy: -2105.790790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.790790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.539083 (E_RNA)
where:
Base-Base interactions energy: -1470.090
where: short stacking energy: -592.766
Base-Backbone interact. energy: -0.918
local terms energy: -664.531079
where:
bonds (distance) C4'-P energy: -138.590
bonds (distance) P-C4' energy: -119.599
flat angles C4'-P-C4' energy: -141.530
flat angles P-C4'-P energy: -100.983
tors. eta vs tors. theta energy: -163.830
Dist. restrs. and SS energy: 29.748 (S_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: 12
Temperature: 1.050000
Total energy: -2112.122937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.122937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.688942 (E_RNA)
where:
Base-Base interactions energy: -1494.978
where: short stacking energy: -579.403
Base-Backbone interact. energy: 4.851
local terms energy: -638.561482
where:
bonds (distance) C4'-P energy: -127.238
bonds (distance) P-C4' energy: -125.907
flat angles C4'-P-C4' energy: -137.021
flat angles P-C4'-P energy: -86.240
tors. eta vs tors. theta energy: -162.156
Dist. restrs. and SS energy: 16.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2048.734367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.734367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.313486 (E_RNA)
where:
Base-Base interactions energy: -1397.449
where: short stacking energy: -570.829
Base-Backbone interact. energy: 5.146
local terms energy: -680.010494
where:
bonds (distance) C4'-P energy: -145.844
bonds (distance) P-C4' energy: -133.166
flat angles C4'-P-C4' energy: -137.649
flat angles P-C4'-P energy: -92.041
tors. eta vs tors. theta energy: -171.310
Dist. restrs. and SS energy: 23.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1779.709191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.709191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.538146 (E_RNA)
where:
Base-Base interactions energy: -1251.269
where: short stacking energy: -508.338
Base-Backbone interact. energy: -0.818
local terms energy: -563.450958
where:
bonds (distance) C4'-P energy: -110.887
bonds (distance) P-C4' energy: -102.494
flat angles C4'-P-C4' energy: -130.150
flat angles P-C4'-P energy: -78.416
tors. eta vs tors. theta energy: -141.504
Dist. restrs. and SS energy: 35.829 (S_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: 12
Temperature: 1.200000
Total energy: -1908.601855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.601855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.473439 (E_RNA)
where:
Base-Base interactions energy: -1347.589
where: short stacking energy: -550.176
Base-Backbone interact. energy: -0.500
local terms energy: -595.385274
where:
bonds (distance) C4'-P energy: -110.097
bonds (distance) P-C4' energy: -117.589
flat angles C4'-P-C4' energy: -140.731
flat angles P-C4'-P energy: -72.324
tors. eta vs tors. theta energy: -154.644
Dist. restrs. and SS energy: 34.872 (S_DIST_RNA)
chem. 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: -1743.943834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.943834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.395917 (E_RNA)
where:
Base-Base interactions energy: -1208.804
where: short stacking energy: -471.061
Base-Backbone interact. energy: -1.951
local terms energy: -576.640674
where:
bonds (distance) C4'-P energy: -127.100
bonds (distance) P-C4' energy: -113.402
flat angles C4'-P-C4' energy: -135.322
flat angles P-C4'-P energy: -72.015
tors. eta vs tors. theta energy: -128.801
Dist. restrs. and SS energy: 43.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1699.989119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.989119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.477012 (E_RNA)
where:
Base-Base interactions energy: -1194.601
where: short stacking energy: -489.712
Base-Backbone interact. energy: -0.211
local terms energy: -547.664809
where:
bonds (distance) C4'-P energy: -117.847
bonds (distance) P-C4' energy: -108.572
flat angles C4'-P-C4' energy: -112.936
flat angles P-C4'-P energy: -71.237
tors. eta vs tors. theta energy: -137.072
Dist. restrs. and SS energy: 42.488 (S_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: -1548.725777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.725777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.468139 (E_RNA)
where:
Base-Base interactions energy: -1069.744
where: short stacking energy: -433.581
Base-Backbone interact. energy: -1.735
local terms energy: -531.989338
where:
bonds (distance) C4'-P energy: -98.720
bonds (distance) P-C4' energy: -125.279
flat angles C4'-P-C4' energy: -116.265
flat angles P-C4'-P energy: -66.755
tors. eta vs tors. theta energy: -124.970
Dist. restrs. and SS energy: 54.742 (S_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: 13
Temperature: 0.900000
Total energy: -2338.426695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.426695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.548713 (E_RNA)
where:
Base-Base interactions energy: -1652.850
where: short stacking energy: -656.362
Base-Backbone interact. energy: -3.397
local terms energy: -705.301698
where:
bonds (distance) C4'-P energy: -139.094
bonds (distance) P-C4' energy: -137.027
flat angles C4'-P-C4' energy: -146.251
flat angles P-C4'-P energy: -97.768
tors. eta vs tors. theta energy: -185.161
Dist. restrs. and SS energy: 23.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2195.503419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.503419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.416661 (E_RNA)
where:
Base-Base interactions energy: -1535.542
where: short stacking energy: -617.484
Base-Backbone interact. energy: -3.512
local terms energy: -673.362186
where:
bonds (distance) C4'-P energy: -129.283
bonds (distance) P-C4' energy: -132.022
flat angles C4'-P-C4' energy: -155.332
flat angles P-C4'-P energy: -86.587
tors. eta vs tors. theta energy: -170.139
Dist. restrs. and SS energy: 16.913 (S_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: 13
Temperature: 1.000000
Total energy: -2168.308905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.308905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.397706 (E_RNA)
where:
Base-Base interactions energy: -1517.355
where: short stacking energy: -617.728
Base-Backbone interact. energy: -1.511
local terms energy: -674.531083
where:
bonds (distance) C4'-P energy: -132.669
bonds (distance) P-C4' energy: -135.466
flat angles C4'-P-C4' energy: -139.479
flat angles P-C4'-P energy: -95.753
tors. eta vs tors. theta energy: -171.164
Dist. restrs. and SS energy: 25.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2136.287066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.287066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.030720 (E_RNA)
where:
Base-Base interactions energy: -1473.573
where: short stacking energy: -583.277
Base-Backbone interact. energy: -0.729
local terms energy: -681.729263
where:
bonds (distance) C4'-P energy: -132.257
bonds (distance) P-C4' energy: -136.921
flat angles C4'-P-C4' energy: -134.018
flat angles P-C4'-P energy: -95.452
tors. eta vs tors. theta energy: -183.082
Dist. restrs. and SS energy: 19.744 (S_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: 13
Temperature: 1.100000
Total energy: -2105.020975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.020975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.919598 (E_RNA)
where:
Base-Base interactions energy: -1498.380
where: short stacking energy: -618.060
Base-Backbone interact. energy: -3.320
local terms energy: -631.219088
where:
bonds (distance) C4'-P energy: -116.265
bonds (distance) P-C4' energy: -122.960
flat angles C4'-P-C4' energy: -138.743
flat angles P-C4'-P energy: -81.326
tors. eta vs tors. theta energy: -171.925
Dist. restrs. and SS energy: 27.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1944.483542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.483542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.319193 (E_RNA)
where:
Base-Base interactions energy: -1376.674
where: short stacking energy: -532.276
Base-Backbone interact. energy: 0.312
local terms energy: -595.957659
where:
bonds (distance) C4'-P energy: -103.800
bonds (distance) P-C4' energy: -134.813
flat angles C4'-P-C4' energy: -136.382
flat angles P-C4'-P energy: -66.544
tors. eta vs tors. theta energy: -154.420
Dist. restrs. and SS energy: 27.836 (S_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: 13
Temperature: 1.200000
Total energy: -1714.993524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.993524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.020494 (E_RNA)
where:
Base-Base interactions energy: -1172.073
where: short stacking energy: -468.180
Base-Backbone interact. energy: -2.174
local terms energy: -572.773840
where:
bonds (distance) C4'-P energy: -102.739
bonds (distance) P-C4' energy: -152.126
flat angles C4'-P-C4' energy: -121.132
flat angles P-C4'-P energy: -57.759
tors. eta vs tors. theta energy: -139.019
Dist. restrs. and SS energy: 32.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1779.433890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.433890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.555010 (E_RNA)
where:
Base-Base interactions energy: -1260.233
where: short stacking energy: -494.930
Base-Backbone interact. energy: -3.052
local terms energy: -559.270165
where:
bonds (distance) C4'-P energy: -110.314
bonds (distance) P-C4' energy: -108.028
flat angles C4'-P-C4' energy: -131.295
flat angles P-C4'-P energy: -68.826
tors. eta vs tors. theta energy: -140.808
Dist. restrs. and SS energy: 43.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1725.876814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.876814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.278255 (E_RNA)
where:
Base-Base interactions energy: -1201.257
where: short stacking energy: -498.774
Base-Backbone interact. energy: -4.616
local terms energy: -567.405142
where:
bonds (distance) C4'-P energy: -82.270
bonds (distance) P-C4' energy: -116.882
flat angles C4'-P-C4' energy: -132.361
flat angles P-C4'-P energy: -82.365
tors. eta vs tors. theta energy: -153.527
Dist. restrs. and SS energy: 47.401 (S_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: -1664.754253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.754253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.162134 (E_RNA)
where:
Base-Base interactions energy: -1182.650
where: short stacking energy: -485.061
Base-Backbone interact. energy: -1.863
local terms energy: -528.648888
where:
bonds (distance) C4'-P energy: -89.558
bonds (distance) P-C4' energy: -111.150
flat angles C4'-P-C4' energy: -119.418
flat angles P-C4'-P energy: -69.227
tors. eta vs tors. theta energy: -139.296
Dist. restrs. and SS energy: 48.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -2359.092043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.092043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.269745 (E_RNA)
where:
Base-Base interactions energy: -1662.057
where: short stacking energy: -672.695
Base-Backbone interact. energy: -2.517
local terms energy: -718.695779
where:
bonds (distance) C4'-P energy: -136.203
bonds (distance) P-C4' energy: -140.581
flat angles C4'-P-C4' energy: -150.364
flat angles P-C4'-P energy: -101.059
tors. eta vs tors. theta energy: -190.489
Dist. restrs. and SS energy: 24.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2216.910595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.910595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.603872 (E_RNA)
where:
Base-Base interactions energy: -1530.071
where: short stacking energy: -631.549
Base-Backbone interact. energy: -1.212
local terms energy: -713.321685
where:
bonds (distance) C4'-P energy: -145.283
bonds (distance) P-C4' energy: -146.145
flat angles C4'-P-C4' energy: -144.447
flat angles P-C4'-P energy: -99.486
tors. eta vs tors. theta energy: -177.961
Dist. restrs. and SS energy: 27.693 (S_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: 14
Temperature: 1.000000
Total energy: -2204.256029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.256029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.651419 (E_RNA)
where:
Base-Base interactions energy: -1567.533
where: short stacking energy: -630.939
Base-Backbone interact. energy: -0.248
local terms energy: -654.870555
where:
bonds (distance) C4'-P energy: -132.343
bonds (distance) P-C4' energy: -132.204
flat angles C4'-P-C4' energy: -116.256
flat angles P-C4'-P energy: -101.021
tors. eta vs tors. theta energy: -173.047
Dist. restrs. and SS energy: 18.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2097.738144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.738144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.673203 (E_RNA)
where:
Base-Base interactions energy: -1476.526
where: short stacking energy: -592.707
Base-Backbone interact. energy: -2.832
local terms energy: -646.315227
where:
bonds (distance) C4'-P energy: -119.718
bonds (distance) P-C4' energy: -122.222
flat angles C4'-P-C4' energy: -139.061
flat angles P-C4'-P energy: -91.599
tors. eta vs tors. theta energy: -173.715
Dist. restrs. and SS energy: 27.935 (S_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: 14
Temperature: 1.100000
Total energy: -2091.799056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.799056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.830368 (E_RNA)
where:
Base-Base interactions energy: -1470.809
where: short stacking energy: -564.923
Base-Backbone interact. energy: -0.255
local terms energy: -639.765957
where:
bonds (distance) C4'-P energy: -111.864
bonds (distance) P-C4' energy: -123.851
flat angles C4'-P-C4' energy: -148.293
flat angles P-C4'-P energy: -91.559
tors. eta vs tors. theta energy: -164.199
Dist. restrs. and SS energy: 19.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1948.372377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.372377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.052224 (E_RNA)
where:
Base-Base interactions energy: -1415.404
where: short stacking energy: -589.992
Base-Backbone interact. energy: -0.414
local terms energy: -576.233964
where:
bonds (distance) C4'-P energy: -101.403
bonds (distance) P-C4' energy: -131.736
flat angles C4'-P-C4' energy: -124.007
flat angles P-C4'-P energy: -73.775
tors. eta vs tors. theta energy: -145.312
Dist. restrs. and SS energy: 43.680 (S_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: 14
Temperature: 1.200000
Total energy: -1839.009845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.009845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.895899 (E_RNA)
where:
Base-Base interactions energy: -1289.198
where: short stacking energy: -495.854
Base-Backbone interact. energy: -0.548
local terms energy: -577.149180
where:
bonds (distance) C4'-P energy: -123.408
bonds (distance) P-C4' energy: -120.253
flat angles C4'-P-C4' energy: -120.822
flat angles P-C4'-P energy: -62.673
tors. eta vs tors. theta energy: -149.994
Dist. restrs. and SS energy: 27.886 (S_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: 14
Temperature: 1.250000
Total energy: -1731.047050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.047050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.972453 (E_RNA)
where:
Base-Base interactions energy: -1244.738
where: short stacking energy: -474.132
Base-Backbone interact. energy: -2.593
local terms energy: -521.641737
where:
bonds (distance) C4'-P energy: -101.863
bonds (distance) P-C4' energy: -96.265
flat angles C4'-P-C4' energy: -125.395
flat angles P-C4'-P energy: -79.770
tors. eta vs tors. theta energy: -118.349
Dist. restrs. and SS energy: 37.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1777.716892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.716892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.940251 (E_RNA)
where:
Base-Base interactions energy: -1282.187
where: short stacking energy: -519.784
Base-Backbone interact. energy: 11.093
local terms energy: -540.846299
where:
bonds (distance) C4'-P energy: -101.362
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -142.102
flat angles P-C4'-P energy: -71.298
tors. eta vs tors. theta energy: -138.931
Dist. restrs. and SS energy: 34.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1680.519620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.519620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.954251 (E_RNA)
where:
Base-Base interactions energy: -1178.848
where: short stacking energy: -491.570
Base-Backbone interact. energy: -2.362
local terms energy: -543.744180
where:
bonds (distance) C4'-P energy: -114.418
bonds (distance) P-C4' energy: -102.271
flat angles C4'-P-C4' energy: -116.186
flat angles P-C4'-P energy: -60.057
tors. eta vs tors. theta energy: -150.812
Dist. restrs. and SS energy: 44.435 (S_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: 15
Temperature: 0.900000
Total energy: -2337.729581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.729581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.558888 (E_RNA)
where:
Base-Base interactions energy: -1646.476
where: short stacking energy: -652.444
Base-Backbone interact. energy: 2.368
local terms energy: -719.450777
where:
bonds (distance) C4'-P energy: -156.593
bonds (distance) P-C4' energy: -140.526
flat angles C4'-P-C4' energy: -141.929
flat angles P-C4'-P energy: -111.082
tors. eta vs tors. theta energy: -169.320
Dist. restrs. and SS energy: 25.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2272.512903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.512903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.897290 (E_RNA)
where:
Base-Base interactions energy: -1589.698
where: short stacking energy: -619.130
Base-Backbone interact. energy: -3.251
local terms energy: -694.948324
where:
bonds (distance) C4'-P energy: -127.397
bonds (distance) P-C4' energy: -147.228
flat angles C4'-P-C4' energy: -142.299
flat angles P-C4'-P energy: -102.737
tors. eta vs tors. theta energy: -175.287
Dist. restrs. and SS energy: 15.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2183.075016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.075016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.156279 (E_RNA)
where:
Base-Base interactions energy: -1546.609
where: short stacking energy: -603.681
Base-Backbone interact. energy: 0.822
local terms energy: -663.368838
where:
bonds (distance) C4'-P energy: -128.361
bonds (distance) P-C4' energy: -122.998
flat angles C4'-P-C4' energy: -148.238
flat angles P-C4'-P energy: -93.030
tors. eta vs tors. theta energy: -170.742
Dist. restrs. and SS energy: 26.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2171.487165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.487165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.818601 (E_RNA)
where:
Base-Base interactions energy: -1538.786
where: short stacking energy: -623.576
Base-Backbone interact. energy: 0.927
local terms energy: -654.960147
where:
bonds (distance) C4'-P energy: -123.474
bonds (distance) P-C4' energy: -121.451
flat angles C4'-P-C4' energy: -137.338
flat angles P-C4'-P energy: -85.903
tors. eta vs tors. theta energy: -186.794
Dist. restrs. and SS energy: 21.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2085.347183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.347183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.800301 (E_RNA)
where:
Base-Base interactions energy: -1491.435
where: short stacking energy: -604.468
Base-Backbone interact. energy: -1.443
local terms energy: -623.922630
where:
bonds (distance) C4'-P energy: -117.537
bonds (distance) P-C4' energy: -120.911
flat angles C4'-P-C4' energy: -122.126
flat angles P-C4'-P energy: -76.386
tors. eta vs tors. theta energy: -186.963
Dist. restrs. and SS energy: 31.453 (S_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: -1988.834935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.834935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.119719 (E_RNA)
where:
Base-Base interactions energy: -1399.519
where: short stacking energy: -563.198
Base-Backbone interact. energy: -0.724
local terms energy: -614.876675
where:
bonds (distance) C4'-P energy: -122.879
bonds (distance) P-C4' energy: -114.160
flat angles C4'-P-C4' energy: -141.252
flat angles P-C4'-P energy: -69.228
tors. eta vs tors. theta energy: -167.357
Dist. restrs. and SS energy: 26.285 (S_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: 15
Temperature: 1.200000
Total energy: -1907.752981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.752981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.727914 (E_RNA)
where:
Base-Base interactions energy: -1343.682
where: short stacking energy: -560.030
Base-Backbone interact. energy: -2.383
local terms energy: -591.663290
where:
bonds (distance) C4'-P energy: -109.938
bonds (distance) P-C4' energy: -119.562
flat angles C4'-P-C4' energy: -145.112
flat angles P-C4'-P energy: -64.617
tors. eta vs tors. theta energy: -152.434
Dist. restrs. and SS energy: 29.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1868.069651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.069651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.532474 (E_RNA)
where:
Base-Base interactions energy: -1348.497
where: short stacking energy: -534.405
Base-Backbone interact. energy: 4.491
local terms energy: -556.526041
where:
bonds (distance) C4'-P energy: -108.264
bonds (distance) P-C4' energy: -117.044
flat angles C4'-P-C4' energy: -116.524
flat angles P-C4'-P energy: -56.474
tors. eta vs tors. theta energy: -158.219
Dist. restrs. and SS energy: 32.463 (S_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: 15
Temperature: 1.300000
Total energy: -1637.276762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.276762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.422047 (E_RNA)
where:
Base-Base interactions energy: -1202.042
where: short stacking energy: -478.427
Base-Backbone interact. energy: 5.865
local terms energy: -482.245600
where:
bonds (distance) C4'-P energy: -85.854
bonds (distance) P-C4' energy: -104.263
flat angles C4'-P-C4' energy: -110.189
flat angles P-C4'-P energy: -51.656
tors. eta vs tors. theta energy: -130.284
Dist. restrs. and SS energy: 41.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1728.923295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.923295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.155257 (E_RNA)
where:
Base-Base interactions energy: -1189.840
where: short stacking energy: -494.189
Base-Backbone interact. energy: -3.047
local terms energy: -579.268634
where:
bonds (distance) C4'-P energy: -108.881
bonds (distance) P-C4' energy: -108.089
flat angles C4'-P-C4' energy: -126.794
flat angles P-C4'-P energy: -85.242
tors. eta vs tors. theta energy: -150.263
Dist. restrs. and SS energy: 43.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2317.543161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.543161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.007208 (E_RNA)
where:
Base-Base interactions energy: -1647.208
where: short stacking energy: -671.842
Base-Backbone interact. energy: -1.151
local terms energy: -700.648368
where:
bonds (distance) C4'-P energy: -137.896
bonds (distance) P-C4' energy: -145.106
flat angles C4'-P-C4' energy: -150.461
flat angles P-C4'-P energy: -83.118
tors. eta vs tors. theta energy: -184.068
Dist. restrs. and SS energy: 31.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2279.128357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.128357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.306915 (E_RNA)
where:
Base-Base interactions energy: -1584.944
where: short stacking energy: -629.575
Base-Backbone interact. energy: -0.907
local terms energy: -705.455306
where:
bonds (distance) C4'-P energy: -135.032
bonds (distance) P-C4' energy: -138.809
flat angles C4'-P-C4' energy: -140.561
flat angles P-C4'-P energy: -106.723
tors. eta vs tors. theta energy: -184.330
Dist. restrs. and SS energy: 12.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2234.182075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.182075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.549256 (E_RNA)
where:
Base-Base interactions energy: -1558.733
where: short stacking energy: -625.715
Base-Backbone interact. energy: 0.759
local terms energy: -695.575959
where:
bonds (distance) C4'-P energy: -133.264
bonds (distance) P-C4' energy: -112.650
flat angles C4'-P-C4' energy: -157.476
flat angles P-C4'-P energy: -95.810
tors. eta vs tors. theta energy: -196.377
Dist. restrs. and SS energy: 19.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2126.205716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.205716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.283400 (E_RNA)
where:
Base-Base interactions energy: -1475.536
where: short stacking energy: -576.952
Base-Backbone interact. energy: -1.831
local terms energy: -673.916402
where:
bonds (distance) C4'-P energy: -132.696
bonds (distance) P-C4' energy: -138.444
flat angles C4'-P-C4' energy: -140.513
flat angles P-C4'-P energy: -92.958
tors. eta vs tors. theta energy: -169.306
Dist. restrs. and SS energy: 25.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -2106.360052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.360052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.090157 (E_RNA)
where:
Base-Base interactions energy: -1513.792
where: short stacking energy: -614.682
Base-Backbone interact. energy: -1.586
local terms energy: -613.712077
where:
bonds (distance) C4'-P energy: -124.707
bonds (distance) P-C4' energy: -115.031
flat angles C4'-P-C4' energy: -138.324
flat angles P-C4'-P energy: -67.601
tors. eta vs tors. theta energy: -168.048
Dist. restrs. and SS energy: 22.730 (S_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: -1945.947525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.947525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.372041 (E_RNA)
where:
Base-Base interactions energy: -1359.741
where: short stacking energy: -561.611
Base-Backbone interact. energy: -1.269
local terms energy: -613.361773
where:
bonds (distance) C4'-P energy: -121.773
bonds (distance) P-C4' energy: -140.460
flat angles C4'-P-C4' energy: -120.933
flat angles P-C4'-P energy: -78.819
tors. eta vs tors. theta energy: -151.376
Dist. restrs. and SS energy: 28.425 (S_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: 16
Temperature: 1.200000
Total energy: -1972.244650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.244650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.359107 (E_RNA)
where:
Base-Base interactions energy: -1394.403
where: short stacking energy: -574.077
Base-Backbone interact. energy: -1.934
local terms energy: -600.022461
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -117.175
flat angles C4'-P-C4' energy: -135.490
flat angles P-C4'-P energy: -81.257
tors. eta vs tors. theta energy: -168.605
Dist. restrs. and SS energy: 24.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1920.826662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.826662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.438904 (E_RNA)
where:
Base-Base interactions energy: -1377.457
where: short stacking energy: -549.991
Base-Backbone interact. energy: -0.386
local terms energy: -574.595654
where:
bonds (distance) C4'-P energy: -107.426
bonds (distance) P-C4' energy: -108.710
flat angles C4'-P-C4' energy: -124.781
flat angles P-C4'-P energy: -73.266
tors. eta vs tors. theta energy: -160.413
Dist. restrs. and SS energy: 31.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1864.726048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.726048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.310193 (E_RNA)
where:
Base-Base interactions energy: -1326.767
where: short stacking energy: -550.564
Base-Backbone interact. energy: -2.288
local terms energy: -580.255226
where:
bonds (distance) C4'-P energy: -110.704
bonds (distance) P-C4' energy: -107.023
flat angles C4'-P-C4' energy: -120.481
flat angles P-C4'-P energy: -86.694
tors. eta vs tors. theta energy: -155.352
Dist. restrs. and SS energy: 44.584 (S_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: 16
Temperature: 1.350000
Total energy: -1509.851787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.851787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.309993 (E_RNA)
where:
Base-Base interactions energy: -1070.236
where: short stacking energy: -419.111
Base-Backbone interact. energy: -0.428
local terms energy: -492.645428
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -99.399
flat angles C4'-P-C4' energy: -112.569
flat angles P-C4'-P energy: -59.937
tors. eta vs tors. theta energy: -110.065
Dist. restrs. and SS energy: 53.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2356.000069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.000069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.499622 (E_RNA)
where:
Base-Base interactions energy: -1655.973
where: short stacking energy: -648.178
Base-Backbone interact. energy: -1.624
local terms energy: -719.902613
where:
bonds (distance) C4'-P energy: -148.526
bonds (distance) P-C4' energy: -138.930
flat angles C4'-P-C4' energy: -151.768
flat angles P-C4'-P energy: -93.623
tors. eta vs tors. theta energy: -187.055
Dist. restrs. and SS energy: 21.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2335.424537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.424537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.028339 (E_RNA)
where:
Base-Base interactions energy: -1621.352
where: short stacking energy: -670.103
Base-Backbone interact. energy: -1.677
local terms energy: -730.000251
where:
bonds (distance) C4'-P energy: -131.167
bonds (distance) P-C4' energy: -152.612
flat angles C4'-P-C4' energy: -155.419
flat angles P-C4'-P energy: -96.381
tors. eta vs tors. theta energy: -194.422
Dist. restrs. and SS energy: 17.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2268.813731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.813731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.404986 (E_RNA)
where:
Base-Base interactions energy: -1597.126
where: short stacking energy: -646.447
Base-Backbone interact. energy: -3.956
local terms energy: -693.323601
where:
bonds (distance) C4'-P energy: -132.455
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -153.744
flat angles P-C4'-P energy: -100.885
tors. eta vs tors. theta energy: -177.130
Dist. restrs. and SS energy: 25.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2139.118712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.118712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.685381 (E_RNA)
where:
Base-Base interactions energy: -1487.988
where: short stacking energy: -585.314
Base-Backbone interact. energy: 1.616
local terms energy: -673.313117
where:
bonds (distance) C4'-P energy: -144.062
bonds (distance) P-C4' energy: -138.973
flat angles C4'-P-C4' energy: -139.717
flat angles P-C4'-P energy: -82.091
tors. eta vs tors. theta energy: -168.471
Dist. restrs. and SS energy: 20.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -2045.950462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.950462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.745291 (E_RNA)
where:
Base-Base interactions energy: -1463.476
where: short stacking energy: -602.530
Base-Backbone interact. energy: -2.007
local terms energy: -628.261920
where:
bonds (distance) C4'-P energy: -118.647
bonds (distance) P-C4' energy: -119.844
flat angles C4'-P-C4' energy: -148.950
flat angles P-C4'-P energy: -76.355
tors. eta vs tors. theta energy: -164.466
Dist. restrs. and SS energy: 47.795 (S_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: 17
Temperature: 1.150000
Total energy: -2036.180116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.180116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.442703 (E_RNA)
where:
Base-Base interactions energy: -1428.948
where: short stacking energy: -582.321
Base-Backbone interact. energy: -0.961
local terms energy: -628.534111
where:
bonds (distance) C4'-P energy: -125.522
bonds (distance) P-C4' energy: -119.719
flat angles C4'-P-C4' energy: -120.593
flat angles P-C4'-P energy: -97.534
tors. eta vs tors. theta energy: -165.165
Dist. restrs. and SS energy: 22.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1942.202917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.202917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.975018 (E_RNA)
where:
Base-Base interactions energy: -1361.194
where: short stacking energy: -559.893
Base-Backbone interact. energy: -0.168
local terms energy: -615.613084
where:
bonds (distance) C4'-P energy: -114.688
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -137.945
flat angles P-C4'-P energy: -83.690
tors. eta vs tors. theta energy: -158.062
Dist. restrs. and SS energy: 34.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1934.516768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.516768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.411260 (E_RNA)
where:
Base-Base interactions energy: -1383.698
where: short stacking energy: -552.731
Base-Backbone interact. energy: 4.980
local terms energy: -586.693025
where:
bonds (distance) C4'-P energy: -126.455
bonds (distance) P-C4' energy: -113.541
flat angles C4'-P-C4' energy: -115.405
flat angles P-C4'-P energy: -70.770
tors. eta vs tors. theta energy: -160.521
Dist. restrs. and SS energy: 30.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1834.630008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.630008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.722790 (E_RNA)
where:
Base-Base interactions energy: -1296.665
where: short stacking energy: -520.112
Base-Backbone interact. energy: -0.048
local terms energy: -580.010481
where:
bonds (distance) C4'-P energy: -103.715
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -124.467
flat angles P-C4'-P energy: -68.772
tors. eta vs tors. theta energy: -158.590
Dist. restrs. and SS energy: 42.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1531.973700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.973700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.760219 (E_RNA)
where:
Base-Base interactions energy: -1069.940
where: short stacking energy: -411.081
Base-Backbone interact. energy: 0.421
local terms energy: -516.241130
where:
bonds (distance) C4'-P energy: -106.517
bonds (distance) P-C4' energy: -116.648
flat angles C4'-P-C4' energy: -112.555
flat angles P-C4'-P energy: -62.786
tors. eta vs tors. theta energy: -117.734
Dist. restrs. and SS energy: 53.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2420.841457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.841457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.220447 (E_RNA)
where:
Base-Base interactions energy: -1712.300
where: short stacking energy: -698.792
Base-Backbone interact. energy: -2.024
local terms energy: -721.896703
where:
bonds (distance) C4'-P energy: -144.110
bonds (distance) P-C4' energy: -137.346
flat angles C4'-P-C4' energy: -137.153
flat angles P-C4'-P energy: -106.655
tors. eta vs tors. theta energy: -196.633
Dist. restrs. and SS energy: 15.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2315.896874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.896874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.627481 (E_RNA)
where:
Base-Base interactions energy: -1628.067
where: short stacking energy: -660.568
Base-Backbone interact. energy: -2.380
local terms energy: -709.180347
where:
bonds (distance) C4'-P energy: -132.799
bonds (distance) P-C4' energy: -129.622
flat angles C4'-P-C4' energy: -149.181
flat angles P-C4'-P energy: -107.085
tors. eta vs tors. theta energy: -190.493
Dist. restrs. and SS energy: 23.731 (S_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: 18
Temperature: 1.000000
Total energy: -2266.732156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.732156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.983522 (E_RNA)
where:
Base-Base interactions energy: -1581.626
where: short stacking energy: -628.698
Base-Backbone interact. energy: -2.154
local terms energy: -703.203535
where:
bonds (distance) C4'-P energy: -131.150
bonds (distance) P-C4' energy: -139.340
flat angles C4'-P-C4' energy: -146.847
flat angles P-C4'-P energy: -103.444
tors. eta vs tors. theta energy: -182.424
Dist. restrs. and SS energy: 20.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2131.747443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.747443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.094113 (E_RNA)
where:
Base-Base interactions energy: -1517.329
where: short stacking energy: -592.114
Base-Backbone interact. energy: -1.545
local terms energy: -627.219916
where:
bonds (distance) C4'-P energy: -114.872
bonds (distance) P-C4' energy: -108.099
flat angles C4'-P-C4' energy: -137.458
flat angles P-C4'-P energy: -89.013
tors. eta vs tors. theta energy: -177.778
Dist. restrs. and SS energy: 14.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2137.261805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.261805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.593425 (E_RNA)
where:
Base-Base interactions energy: -1529.483
where: short stacking energy: -604.927
Base-Backbone interact. energy: -2.823
local terms energy: -622.287610
where:
bonds (distance) C4'-P energy: -122.576
bonds (distance) P-C4' energy: -117.929
flat angles C4'-P-C4' energy: -124.694
flat angles P-C4'-P energy: -79.377
tors. eta vs tors. theta energy: -177.712
Dist. restrs. and SS energy: 17.332 (S_DIST_RNA)
chem. 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: -2002.346816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.346816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.562291 (E_RNA)
where:
Base-Base interactions energy: -1399.106
where: short stacking energy: -554.751
Base-Backbone interact. energy: -1.178
local terms energy: -632.278961
where:
bonds (distance) C4'-P energy: -127.568
bonds (distance) P-C4' energy: -112.398
flat angles C4'-P-C4' energy: -131.327
flat angles P-C4'-P energy: -78.309
tors. eta vs tors. theta energy: -182.676
Dist. restrs. and SS energy: 30.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1977.318754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.318754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.952571 (E_RNA)
where:
Base-Base interactions energy: -1408.472
where: short stacking energy: -567.297
Base-Backbone interact. energy: -0.082
local terms energy: -597.399022
where:
bonds (distance) C4'-P energy: -115.028
bonds (distance) P-C4' energy: -99.893
flat angles C4'-P-C4' energy: -131.121
flat angles P-C4'-P energy: -70.085
tors. eta vs tors. theta energy: -181.272
Dist. restrs. and SS energy: 28.634 (S_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: -1872.804000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.804000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.430601 (E_RNA)
where:
Base-Base interactions energy: -1295.021
where: short stacking energy: -532.562
Base-Backbone interact. energy: 2.219
local terms energy: -611.629189
where:
bonds (distance) C4'-P energy: -129.369
bonds (distance) P-C4' energy: -118.743
flat angles C4'-P-C4' energy: -115.297
flat angles P-C4'-P energy: -73.634
tors. eta vs tors. theta energy: -174.586
Dist. restrs. and SS energy: 31.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1911.008654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.008654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.212467 (E_RNA)
where:
Base-Base interactions energy: -1359.394
where: short stacking energy: -541.474
Base-Backbone interact. energy: -1.221
local terms energy: -586.597079
where:
bonds (distance) C4'-P energy: -99.656
bonds (distance) P-C4' energy: -119.282
flat angles C4'-P-C4' energy: -120.542
flat angles P-C4'-P energy: -85.998
tors. eta vs tors. theta energy: -161.120
Dist. restrs. and SS energy: 36.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1545.018039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.018039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.117341 (E_RNA)
where:
Base-Base interactions energy: -1038.453
where: short stacking energy: -422.821
Base-Backbone interact. energy: -1.209
local terms energy: -557.454868
where:
bonds (distance) C4'-P energy: -131.046
bonds (distance) P-C4' energy: -113.647
flat angles C4'-P-C4' energy: -117.744
flat angles P-C4'-P energy: -73.207
tors. eta vs tors. theta energy: -121.811
Dist. restrs. and SS energy: 52.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2419.891481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.891481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.712974 (E_RNA)
where:
Base-Base interactions energy: -1695.952
where: short stacking energy: -684.738
Base-Backbone interact. energy: -1.817
local terms energy: -732.943484
where:
bonds (distance) C4'-P energy: -158.967
bonds (distance) P-C4' energy: -135.259
flat angles C4'-P-C4' energy: -146.351
flat angles P-C4'-P energy: -92.062
tors. eta vs tors. theta energy: -200.304
Dist. restrs. and SS energy: 10.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2336.097783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.097783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.472184 (E_RNA)
where:
Base-Base interactions energy: -1676.614
where: short stacking energy: -657.366
Base-Backbone interact. energy: -0.954
local terms energy: -677.904164
where:
bonds (distance) C4'-P energy: -140.333
bonds (distance) P-C4' energy: -145.218
flat angles C4'-P-C4' energy: -140.475
flat angles P-C4'-P energy: -69.127
tors. eta vs tors. theta energy: -182.752
Dist. restrs. and SS energy: 19.374 (S_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: 19
Temperature: 1.000000
Total energy: -2296.072827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.072827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.287929 (E_RNA)
where:
Base-Base interactions energy: -1626.092
where: short stacking energy: -665.461
Base-Backbone interact. energy: -2.167
local terms energy: -691.028930
where:
bonds (distance) C4'-P energy: -122.431
bonds (distance) P-C4' energy: -131.170
flat angles C4'-P-C4' energy: -150.326
flat angles P-C4'-P energy: -92.941
tors. eta vs tors. theta energy: -194.162
Dist. restrs. and SS energy: 23.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2119.971406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.971406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.506800 (E_RNA)
where:
Base-Base interactions energy: -1488.940
where: short stacking energy: -589.866
Base-Backbone interact. energy: -2.289
local terms energy: -652.277711
where:
bonds (distance) C4'-P energy: -143.235
bonds (distance) P-C4' energy: -114.046
flat angles C4'-P-C4' energy: -141.654
flat angles P-C4'-P energy: -95.083
tors. eta vs tors. theta energy: -158.260
Dist. restrs. and SS energy: 23.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2107.743573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.743573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.791120 (E_RNA)
where:
Base-Base interactions energy: -1512.151
where: short stacking energy: -622.968
Base-Backbone interact. energy: -1.645
local terms energy: -613.995484
where:
bonds (distance) C4'-P energy: -130.957
bonds (distance) P-C4' energy: -97.297
flat angles C4'-P-C4' energy: -126.904
flat angles P-C4'-P energy: -83.244
tors. eta vs tors. theta energy: -175.594
Dist. restrs. and SS energy: 20.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -2065.462879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.462879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.559553 (E_RNA)
where:
Base-Base interactions energy: -1477.785
where: short stacking energy: -596.896
Base-Backbone interact. energy: -3.217
local terms energy: -601.557378
where:
bonds (distance) C4'-P energy: -108.745
bonds (distance) P-C4' energy: -112.579
flat angles C4'-P-C4' energy: -124.824
flat angles P-C4'-P energy: -90.698
tors. eta vs tors. theta energy: -164.711
Dist. restrs. and SS energy: 17.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1998.842102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.842102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.583971 (E_RNA)
where:
Base-Base interactions energy: -1425.735
where: short stacking energy: -585.927
Base-Backbone interact. energy: -0.274
local terms energy: -613.575605
where:
bonds (distance) C4'-P energy: -105.128
bonds (distance) P-C4' energy: -104.041
flat angles C4'-P-C4' energy: -133.577
flat angles P-C4'-P energy: -85.660
tors. eta vs tors. theta energy: -185.169
Dist. restrs. and SS energy: 40.742 (S_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: 19
Temperature: 1.250000
Total energy: -1967.494757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.494757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.403657 (E_RNA)
where:
Base-Base interactions energy: -1374.107
where: short stacking energy: -571.978
Base-Backbone interact. energy: -2.977
local terms energy: -619.319586
where:
bonds (distance) C4'-P energy: -119.005
bonds (distance) P-C4' energy: -116.359
flat angles C4'-P-C4' energy: -126.487
flat angles P-C4'-P energy: -78.753
tors. eta vs tors. theta energy: -178.716
Dist. restrs. and SS energy: 28.909 (S_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: 19
Temperature: 1.300000
Total energy: -1749.386671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.386671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.496775 (E_RNA)
where:
Base-Base interactions energy: -1290.608
where: short stacking energy: -512.679
Base-Backbone interact. energy: -1.374
local terms energy: -497.514784
where:
bonds (distance) C4'-P energy: -116.594
bonds (distance) P-C4' energy: -101.929
flat angles C4'-P-C4' energy: -104.587
flat angles P-C4'-P energy: -55.910
tors. eta vs tors. theta energy: -118.494
Dist. restrs. and SS energy: 40.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1573.467169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.467169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.446098 (E_RNA)
where:
Base-Base interactions energy: -1095.742
where: short stacking energy: -436.817
Base-Backbone interact. energy: -0.131
local terms energy: -532.573984
where:
bonds (distance) C4'-P energy: -106.182
bonds (distance) P-C4' energy: -122.825
flat angles C4'-P-C4' energy: -122.960
flat angles P-C4'-P energy: -42.554
tors. eta vs tors. theta energy: -138.053
Dist. restrs. and SS energy: 54.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2417.222573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.222573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.076355 (E_RNA)
where:
Base-Base interactions energy: -1712.221
where: short stacking energy: -716.530
Base-Backbone interact. energy: -0.688
local terms energy: -723.167494
where:
bonds (distance) C4'-P energy: -144.445
bonds (distance) P-C4' energy: -139.942
flat angles C4'-P-C4' energy: -157.237
flat angles P-C4'-P energy: -75.763
tors. eta vs tors. theta energy: -205.780
Dist. restrs. and SS energy: 18.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2381.283386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.283386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.463970 (E_RNA)
where:
Base-Base interactions energy: -1678.038
where: short stacking energy: -667.263
Base-Backbone interact. energy: -0.450
local terms energy: -717.975624
where:
bonds (distance) C4'-P energy: -133.859
bonds (distance) P-C4' energy: -148.231
flat angles C4'-P-C4' energy: -154.793
flat angles P-C4'-P energy: -93.976
tors. eta vs tors. theta energy: -187.117
Dist. restrs. and SS energy: 15.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2279.269267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.269267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.481596 (E_RNA)
where:
Base-Base interactions energy: -1594.849
where: short stacking energy: -615.231
Base-Backbone interact. energy: 0.245
local terms energy: -701.878049
where:
bonds (distance) C4'-P energy: -129.662
bonds (distance) P-C4' energy: -140.378
flat angles C4'-P-C4' energy: -151.201
flat angles P-C4'-P energy: -91.290
tors. eta vs tors. theta energy: -189.347
Dist. restrs. and SS energy: 17.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2182.262794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.262794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.876173 (E_RNA)
where:
Base-Base interactions energy: -1551.088
where: short stacking energy: -627.344
Base-Backbone interact. energy: -3.268
local terms energy: -651.520514
where:
bonds (distance) C4'-P energy: -134.016
bonds (distance) P-C4' energy: -117.838
flat angles C4'-P-C4' energy: -129.443
flat angles P-C4'-P energy: -99.799
tors. eta vs tors. theta energy: -170.425
Dist. restrs. and SS energy: 23.613 (S_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: 20
Temperature: 1.100000
Total energy: -2130.614826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.614826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.796516 (E_RNA)
where:
Base-Base interactions energy: -1463.772
where: short stacking energy: -596.897
Base-Backbone interact. energy: -2.525
local terms energy: -680.499324
where:
bonds (distance) C4'-P energy: -116.110
bonds (distance) P-C4' energy: -134.123
flat angles C4'-P-C4' energy: -145.576
flat angles P-C4'-P energy: -107.836
tors. eta vs tors. theta energy: -176.855
Dist. restrs. and SS energy: 16.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -2106.046544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.046544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.814192 (E_RNA)
where:
Base-Base interactions energy: -1505.552
where: short stacking energy: -606.666
Base-Backbone interact. energy: 3.152
local terms energy: -622.414142
where:
bonds (distance) C4'-P energy: -107.497
bonds (distance) P-C4' energy: -131.959
flat angles C4'-P-C4' energy: -138.828
flat angles P-C4'-P energy: -77.663
tors. eta vs tors. theta energy: -166.468
Dist. restrs. and SS energy: 18.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -2013.237903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.237903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.382786 (E_RNA)
where:
Base-Base interactions energy: -1393.018
where: short stacking energy: -573.500
Base-Backbone interact. energy: -1.556
local terms energy: -650.809372
where:
bonds (distance) C4'-P energy: -139.841
bonds (distance) P-C4' energy: -119.518
flat angles C4'-P-C4' energy: -142.804
flat angles P-C4'-P energy: -82.901
tors. eta vs tors. theta energy: -165.746
Dist. restrs. and SS energy: 32.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1950.496018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.496018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.016823 (E_RNA)
where:
Base-Base interactions energy: -1378.318
where: short stacking energy: -558.715
Base-Backbone interact. energy: -2.104
local terms energy: -596.594491
where:
bonds (distance) C4'-P energy: -114.037
bonds (distance) P-C4' energy: -125.605
flat angles C4'-P-C4' energy: -115.021
flat angles P-C4'-P energy: -84.100
tors. eta vs tors. theta energy: -157.831
Dist. restrs. and SS energy: 26.521 (S_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: 20
Temperature: 1.300000
Total energy: -1768.651407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.651407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.566789 (E_RNA)
where:
Base-Base interactions energy: -1273.566
where: short stacking energy: -525.278
Base-Backbone interact. energy: -1.589
local terms energy: -542.412061
where:
bonds (distance) C4'-P energy: -102.376
bonds (distance) P-C4' energy: -101.765
flat angles C4'-P-C4' energy: -123.992
flat angles P-C4'-P energy: -71.952
tors. eta vs tors. theta energy: -142.326
Dist. restrs. and SS energy: 48.915 (S_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: 20
Temperature: 1.350000
Total energy: -1568.498277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.498277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.358531 (E_RNA)
where:
Base-Base interactions energy: -1078.832
where: short stacking energy: -454.068
Base-Backbone interact. energy: 1.170
local terms energy: -550.695844
where:
bonds (distance) C4'-P energy: -113.352
bonds (distance) P-C4' energy: -101.277
flat angles C4'-P-C4' energy: -126.774
flat angles P-C4'-P energy: -89.127
tors. eta vs tors. theta energy: -120.165
Dist. restrs. and SS energy: 59.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2428.862175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.862175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.498962 (E_RNA)
where:
Base-Base interactions energy: -1714.274
where: short stacking energy: -695.564
Base-Backbone interact. energy: -1.916
local terms energy: -732.308886
where:
bonds (distance) C4'-P energy: -136.060
bonds (distance) P-C4' energy: -145.913
flat angles C4'-P-C4' energy: -142.276
flat angles P-C4'-P energy: -106.444
tors. eta vs tors. theta energy: -201.616
Dist. restrs. and SS energy: 19.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2366.981195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.981195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.268746 (E_RNA)
where:
Base-Base interactions energy: -1682.212
where: short stacking energy: -666.454
Base-Backbone interact. energy: -0.382
local terms energy: -702.674656
where:
bonds (distance) C4'-P energy: -128.429
bonds (distance) P-C4' energy: -142.516
flat angles C4'-P-C4' energy: -140.544
flat angles P-C4'-P energy: -92.139
tors. eta vs tors. theta energy: -199.047
Dist. restrs. and SS energy: 18.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2296.781790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.781790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.272705 (E_RNA)
where:
Base-Base interactions energy: -1611.501
where: short stacking energy: -656.666
Base-Backbone interact. energy: 2.723
local terms energy: -711.495105
where:
bonds (distance) C4'-P energy: -122.929
bonds (distance) P-C4' energy: -139.899
flat angles C4'-P-C4' energy: -154.334
flat angles P-C4'-P energy: -93.631
tors. eta vs tors. theta energy: -200.702
Dist. restrs. and SS energy: 23.491 (S_DIST_RNA)
chem. 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: -2190.076884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.076884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.881174 (E_RNA)
where:
Base-Base interactions energy: -1551.447
where: short stacking energy: -636.822
Base-Backbone interact. energy: 0.286
local terms energy: -662.720229
where:
bonds (distance) C4'-P energy: -124.481
bonds (distance) P-C4' energy: -110.917
flat angles C4'-P-C4' energy: -146.277
flat angles P-C4'-P energy: -103.769
tors. eta vs tors. theta energy: -177.276
Dist. restrs. and SS energy: 23.804 (S_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: 21
Temperature: 1.100000
Total energy: -2195.308130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.308130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.980438 (E_RNA)
where:
Base-Base interactions energy: -1561.458
where: short stacking energy: -615.078
Base-Backbone interact. energy: 1.018
local terms energy: -648.541206
where:
bonds (distance) C4'-P energy: -116.857
bonds (distance) P-C4' energy: -136.918
flat angles C4'-P-C4' energy: -132.188
flat angles P-C4'-P energy: -77.143
tors. eta vs tors. theta energy: -185.435
Dist. restrs. and SS energy: 13.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2117.734807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.734807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.749013 (E_RNA)
where:
Base-Base interactions energy: -1498.860
where: short stacking energy: -578.170
Base-Backbone interact. energy: -1.815
local terms energy: -639.073288
where:
bonds (distance) C4'-P energy: -127.782
bonds (distance) P-C4' energy: -127.284
flat angles C4'-P-C4' energy: -127.369
flat angles P-C4'-P energy: -78.795
tors. eta vs tors. theta energy: -177.843
Dist. restrs. and SS energy: 22.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -2032.771203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.771203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.638301 (E_RNA)
where:
Base-Base interactions energy: -1444.971
where: short stacking energy: -562.452
Base-Backbone interact. energy: 0.164
local terms energy: -607.831030
where:
bonds (distance) C4'-P energy: -121.422
bonds (distance) P-C4' energy: -100.869
flat angles C4'-P-C4' energy: -142.258
flat angles P-C4'-P energy: -65.281
tors. eta vs tors. theta energy: -178.001
Dist. restrs. and SS energy: 19.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1991.865020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.865020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.718102 (E_RNA)
where:
Base-Base interactions energy: -1419.500
where: short stacking energy: -569.169
Base-Backbone interact. energy: 0.628
local terms energy: -603.846663
where:
bonds (distance) C4'-P energy: -101.491
bonds (distance) P-C4' energy: -112.699
flat angles C4'-P-C4' energy: -122.702
flat angles P-C4'-P energy: -92.972
tors. eta vs tors. theta energy: -173.982
Dist. restrs. and SS energy: 30.853 (S_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: 21
Temperature: 1.300000
Total energy: -1830.990344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.990344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.639492 (E_RNA)
where:
Base-Base interactions energy: -1311.628
where: short stacking energy: -519.388
Base-Backbone interact. energy: 9.585
local terms energy: -556.596350
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -118.489
flat angles C4'-P-C4' energy: -126.675
flat angles P-C4'-P energy: -81.379
tors. eta vs tors. theta energy: -153.462
Dist. restrs. and SS energy: 27.649 (S_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: 21
Temperature: 1.350000
Total energy: -1560.590724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.590724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.235674 (E_RNA)
where:
Base-Base interactions energy: -1113.915
where: short stacking energy: -416.428
Base-Backbone interact. energy: 1.113
local terms energy: -484.433439
where:
bonds (distance) C4'-P energy: -101.419
bonds (distance) P-C4' energy: -98.406
flat angles C4'-P-C4' energy: -115.294
flat angles P-C4'-P energy: -67.662
tors. eta vs tors. theta energy: -101.652
Dist. restrs. and SS energy: 36.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2397.013402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.013402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.576315 (E_RNA)
where:
Base-Base interactions energy: -1668.290
where: short stacking energy: -685.403
Base-Backbone interact. energy: -1.811
local terms energy: -745.474954
where:
bonds (distance) C4'-P energy: -138.049
bonds (distance) P-C4' energy: -141.671
flat angles C4'-P-C4' energy: -153.346
flat angles P-C4'-P energy: -106.184
tors. eta vs tors. theta energy: -206.226
Dist. restrs. and SS energy: 18.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2355.706999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.706999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.931851 (E_RNA)
where:
Base-Base interactions energy: -1696.373
where: short stacking energy: -651.337
Base-Backbone interact. energy: -2.535
local terms energy: -669.024207
where:
bonds (distance) C4'-P energy: -127.770
bonds (distance) P-C4' energy: -121.728
flat angles C4'-P-C4' energy: -145.176
flat angles P-C4'-P energy: -87.328
tors. eta vs tors. theta energy: -187.022
Dist. restrs. and SS energy: 12.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2261.292074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.292074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.210142 (E_RNA)
where:
Base-Base interactions energy: -1592.775
where: short stacking energy: -647.673
Base-Backbone interact. energy: -1.346
local terms energy: -691.089222
where:
bonds (distance) C4'-P energy: -133.077
bonds (distance) P-C4' energy: -128.028
flat angles C4'-P-C4' energy: -151.485
flat angles P-C4'-P energy: -98.279
tors. eta vs tors. theta energy: -180.220
Dist. restrs. and SS energy: 23.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2222.816543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.816543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.361762 (E_RNA)
where:
Base-Base interactions energy: -1552.221
where: short stacking energy: -644.173
Base-Backbone interact. energy: -2.066
local terms energy: -695.074141
where:
bonds (distance) C4'-P energy: -142.386
bonds (distance) P-C4' energy: -137.328
flat angles C4'-P-C4' energy: -142.121
flat angles P-C4'-P energy: -87.634
tors. eta vs tors. theta energy: -185.606
Dist. restrs. and SS energy: 26.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2201.186801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.186801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.934832 (E_RNA)
where:
Base-Base interactions energy: -1564.642
where: short stacking energy: -651.279
Base-Backbone interact. energy: 3.404
local terms energy: -654.696577
where:
bonds (distance) C4'-P energy: -113.060
bonds (distance) P-C4' energy: -136.299
flat angles C4'-P-C4' energy: -127.861
flat angles P-C4'-P energy: -85.501
tors. eta vs tors. theta energy: -191.977
Dist. restrs. and SS energy: 14.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2189.539812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.539812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.412528 (E_RNA)
where:
Base-Base interactions energy: -1569.043
where: short stacking energy: -608.924
Base-Backbone interact. energy: 1.344
local terms energy: -638.712879
where:
bonds (distance) C4'-P energy: -117.835
bonds (distance) P-C4' energy: -111.084
flat angles C4'-P-C4' energy: -135.621
flat angles P-C4'-P energy: -93.179
tors. eta vs tors. theta energy: -180.994
Dist. restrs. and SS energy: 16.873 (S_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: -2058.344829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.344829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.655637 (E_RNA)
where:
Base-Base interactions energy: -1462.974
where: short stacking energy: -598.916
Base-Backbone interact. energy: -0.552
local terms energy: -625.130285
where:
bonds (distance) C4'-P energy: -108.316
bonds (distance) P-C4' energy: -120.901
flat angles C4'-P-C4' energy: -123.101
flat angles P-C4'-P energy: -90.017
tors. eta vs tors. theta energy: -182.795
Dist. restrs. and SS energy: 30.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1950.453726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.453726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.867587 (E_RNA)
where:
Base-Base interactions energy: -1390.879
where: short stacking energy: -571.622
Base-Backbone interact. energy: -2.068
local terms energy: -580.920930
where:
bonds (distance) C4'-P energy: -106.563
bonds (distance) P-C4' energy: -117.143
flat angles C4'-P-C4' energy: -121.657
flat angles P-C4'-P energy: -73.911
tors. eta vs tors. theta energy: -161.648
Dist. restrs. and SS energy: 23.414 (S_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: 22
Temperature: 1.300000
Total energy: -1777.538502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.538502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.865891 (E_RNA)
where:
Base-Base interactions energy: -1262.604
where: short stacking energy: -489.532
Base-Backbone interact. energy: -2.411
local terms energy: -547.850670
where:
bonds (distance) C4'-P energy: -98.074
bonds (distance) P-C4' energy: -107.311
flat angles C4'-P-C4' energy: -119.398
flat angles P-C4'-P energy: -84.363
tors. eta vs tors. theta energy: -138.704
Dist. restrs. and SS energy: 35.327 (S_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: 22
Temperature: 1.350000
Total energy: -1553.247393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.247393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.739900 (E_RNA)
where:
Base-Base interactions energy: -1096.246
where: short stacking energy: -417.520
Base-Backbone interact. energy: -1.727
local terms energy: -515.766968
where:
bonds (distance) C4'-P energy: -99.797
bonds (distance) P-C4' energy: -99.276
flat angles C4'-P-C4' energy: -132.146
flat angles P-C4'-P energy: -75.981
tors. eta vs tors. theta energy: -108.566
Dist. restrs. and SS energy: 60.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2422.563472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.563472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.844670 (E_RNA)
where:
Base-Base interactions energy: -1673.742
where: short stacking energy: -679.778
Base-Backbone interact. energy: -3.955
local terms energy: -757.147334
where:
bonds (distance) C4'-P energy: -133.885
bonds (distance) P-C4' energy: -147.841
flat angles C4'-P-C4' energy: -154.933
flat angles P-C4'-P energy: -113.679
tors. eta vs tors. theta energy: -206.809
Dist. restrs. and SS energy: 12.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2344.469282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.469282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.241354 (E_RNA)
where:
Base-Base interactions energy: -1650.921
where: short stacking energy: -660.872
Base-Backbone interact. energy: -1.025
local terms energy: -707.295769
where:
bonds (distance) C4'-P energy: -139.273
bonds (distance) P-C4' energy: -134.161
flat angles C4'-P-C4' energy: -146.790
flat angles P-C4'-P energy: -96.294
tors. eta vs tors. theta energy: -190.778
Dist. restrs. and SS energy: 14.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2292.164784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.164784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.563541 (E_RNA)
where:
Base-Base interactions energy: -1605.081
where: short stacking energy: -655.541
Base-Backbone interact. energy: -2.120
local terms energy: -705.362291
where:
bonds (distance) C4'-P energy: -136.129
bonds (distance) P-C4' energy: -134.035
flat angles C4'-P-C4' energy: -150.150
flat angles P-C4'-P energy: -84.059
tors. eta vs tors. theta energy: -200.990
Dist. restrs. and SS energy: 20.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2292.870205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.870205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.721176 (E_RNA)
where:
Base-Base interactions energy: -1642.477
where: short stacking energy: -682.546
Base-Backbone interact. energy: -3.516
local terms energy: -662.728091
where:
bonds (distance) C4'-P energy: -109.163
bonds (distance) P-C4' energy: -125.565
flat angles C4'-P-C4' energy: -139.814
flat angles P-C4'-P energy: -96.431
tors. eta vs tors. theta energy: -191.755
Dist. restrs. and SS energy: 15.851 (S_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: 23
Temperature: 1.100000
Total energy: -2114.692668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.692668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.800298 (E_RNA)
where:
Base-Base interactions energy: -1514.415
where: short stacking energy: -614.572
Base-Backbone interact. energy: -2.009
local terms energy: -624.376034
where:
bonds (distance) C4'-P energy: -122.968
bonds (distance) P-C4' energy: -117.680
flat angles C4'-P-C4' energy: -123.535
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: -184.612
Dist. restrs. and SS energy: 26.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2158.099242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.099242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.780333 (E_RNA)
where:
Base-Base interactions energy: -1529.747
where: short stacking energy: -618.783
Base-Backbone interact. energy: -1.276
local terms energy: -642.756807
where:
bonds (distance) C4'-P energy: -117.635
bonds (distance) P-C4' energy: -108.757
flat angles C4'-P-C4' energy: -130.055
flat angles P-C4'-P energy: -86.790
tors. eta vs tors. theta energy: -199.519
Dist. restrs. and SS energy: 15.681 (S_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: -2019.339197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.339197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.304721 (E_RNA)
where:
Base-Base interactions energy: -1430.331
where: short stacking energy: -585.293
Base-Backbone interact. energy: 1.014
local terms energy: -624.988546
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -130.718
flat angles P-C4'-P energy: -82.128
tors. eta vs tors. theta energy: -185.367
Dist. restrs. and SS energy: 34.966 (S_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: -1866.078616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.078616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.395307 (E_RNA)
where:
Base-Base interactions energy: -1332.837
where: short stacking energy: -541.937
Base-Backbone interact. energy: -0.647
local terms energy: -565.911064
where:
bonds (distance) C4'-P energy: -104.681
bonds (distance) P-C4' energy: -109.170
flat angles C4'-P-C4' energy: -125.993
flat angles P-C4'-P energy: -68.143
tors. eta vs tors. theta energy: -157.924
Dist. restrs. and SS energy: 33.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1892.815403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.815403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.501873 (E_RNA)
where:
Base-Base interactions energy: -1325.463
where: short stacking energy: -559.443
Base-Backbone interact. energy: 0.062
local terms energy: -602.100641
where:
bonds (distance) C4'-P energy: -120.559
bonds (distance) P-C4' energy: -111.889
flat angles C4'-P-C4' energy: -134.351
flat angles P-C4'-P energy: -75.733
tors. eta vs tors. theta energy: -159.568
Dist. restrs. and SS energy: 34.686 (S_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: 23
Temperature: 1.350000
Total energy: -1675.682570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.682570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.575965 (E_RNA)
where:
Base-Base interactions energy: -1186.735
where: short stacking energy: -481.504
Base-Backbone interact. energy: -1.704
local terms energy: -544.136717
where:
bonds (distance) C4'-P energy: -111.483
bonds (distance) P-C4' energy: -104.663
flat angles C4'-P-C4' energy: -116.616
flat angles P-C4'-P energy: -61.738
tors. eta vs tors. theta energy: -149.636
Dist. restrs. and SS energy: 56.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2433.211554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.211554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.817941 (E_RNA)
where:
Base-Base interactions energy: -1684.450
where: short stacking energy: -682.989
Base-Backbone interact. energy: -0.904
local terms energy: -768.464550
where:
bonds (distance) C4'-P energy: -140.853
bonds (distance) P-C4' energy: -153.055
flat angles C4'-P-C4' energy: -165.108
flat angles P-C4'-P energy: -100.195
tors. eta vs tors. theta energy: -209.253
Dist. restrs. and SS energy: 20.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2340.776056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.776056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.779553 (E_RNA)
where:
Base-Base interactions energy: -1649.106
where: short stacking energy: -639.804
Base-Backbone interact. energy: -1.774
local terms energy: -704.900118
where:
bonds (distance) C4'-P energy: -123.460
bonds (distance) P-C4' energy: -147.877
flat angles C4'-P-C4' energy: -159.426
flat angles P-C4'-P energy: -91.879
tors. eta vs tors. theta energy: -182.258
Dist. restrs. and SS energy: 15.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2336.270708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.270708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.851739 (E_RNA)
where:
Base-Base interactions energy: -1634.373
where: short stacking energy: -672.640
Base-Backbone interact. energy: -0.702
local terms energy: -721.776475
where:
bonds (distance) C4'-P energy: -109.921
bonds (distance) P-C4' energy: -136.714
flat angles C4'-P-C4' energy: -162.455
flat angles P-C4'-P energy: -106.972
tors. eta vs tors. theta energy: -205.714
Dist. restrs. and SS energy: 20.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2327.624521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.624521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.835533 (E_RNA)
where:
Base-Base interactions energy: -1638.905
where: short stacking energy: -653.290
Base-Backbone interact. energy: -2.939
local terms energy: -696.991673
where:
bonds (distance) C4'-P energy: -121.507
bonds (distance) P-C4' energy: -130.817
flat angles C4'-P-C4' energy: -160.898
flat angles P-C4'-P energy: -89.963
tors. eta vs tors. theta energy: -193.807
Dist. restrs. and SS energy: 11.211 (S_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: 24
Temperature: 1.100000
Total energy: -2140.702072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.702072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.809765 (E_RNA)
where:
Base-Base interactions energy: -1522.352
where: short stacking energy: -629.385
Base-Backbone interact. energy: 0.369
local terms energy: -645.826287
where:
bonds (distance) C4'-P energy: -115.399
bonds (distance) P-C4' energy: -122.796
flat angles C4'-P-C4' energy: -146.682
flat angles P-C4'-P energy: -91.494
tors. eta vs tors. theta energy: -169.456
Dist. restrs. and SS energy: 27.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2121.742080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.742080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.464368 (E_RNA)
where:
Base-Base interactions energy: -1502.166
where: short stacking energy: -611.080
Base-Backbone interact. energy: -2.781
local terms energy: -640.517153
where:
bonds (distance) C4'-P energy: -111.328
bonds (distance) P-C4' energy: -119.149
flat angles C4'-P-C4' energy: -130.588
flat angles P-C4'-P energy: -98.801
tors. eta vs tors. theta energy: -180.650
Dist. restrs. and SS energy: 23.722 (S_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: 24
Temperature: 1.200000
Total energy: -2035.338995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.338995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.500528 (E_RNA)
where:
Base-Base interactions energy: -1462.073
where: short stacking energy: -606.620
Base-Backbone interact. energy: -0.479
local terms energy: -604.949084
where:
bonds (distance) C4'-P energy: -100.094
bonds (distance) P-C4' energy: -108.994
flat angles C4'-P-C4' energy: -133.219
flat angles P-C4'-P energy: -92.524
tors. eta vs tors. theta energy: -170.118
Dist. restrs. and SS energy: 32.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1926.005479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.005479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.165910 (E_RNA)
where:
Base-Base interactions energy: -1327.648
where: short stacking energy: -530.765
Base-Backbone interact. energy: -2.775
local terms energy: -614.742851
where:
bonds (distance) C4'-P energy: -142.948
bonds (distance) P-C4' energy: -108.313
flat angles C4'-P-C4' energy: -137.925
flat angles P-C4'-P energy: -78.704
tors. eta vs tors. theta energy: -146.853
Dist. restrs. and SS energy: 19.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1885.927646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.927646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.678352 (E_RNA)
where:
Base-Base interactions energy: -1323.874
where: short stacking energy: -554.629
Base-Backbone interact. energy: -4.934
local terms energy: -594.870775
where:
bonds (distance) C4'-P energy: -103.758
bonds (distance) P-C4' energy: -116.532
flat angles C4'-P-C4' energy: -128.739
flat angles P-C4'-P energy: -76.483
tors. eta vs tors. theta energy: -169.359
Dist. restrs. and SS energy: 37.751 (S_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: 24
Temperature: 1.350000
Total energy: -1612.728648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.728648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.020246 (E_RNA)
where:
Base-Base interactions energy: -1155.457
where: short stacking energy: -480.609
Base-Backbone interact. energy: -2.323
local terms energy: -513.240832
where:
bonds (distance) C4'-P energy: -105.593
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -111.900
flat angles P-C4'-P energy: -70.392
tors. eta vs tors. theta energy: -126.165
Dist. restrs. and SS energy: 58.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2399.860316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.860316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.696924 (E_RNA)
where:
Base-Base interactions energy: -1671.411
where: short stacking energy: -668.635
Base-Backbone interact. energy: -3.069
local terms energy: -735.216136
where:
bonds (distance) C4'-P energy: -145.921
bonds (distance) P-C4' energy: -135.365
flat angles C4'-P-C4' energy: -146.571
flat angles P-C4'-P energy: -111.533
tors. eta vs tors. theta energy: -195.826
Dist. restrs. and SS energy: 9.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2329.485313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.485313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.428796 (E_RNA)
where:
Base-Base interactions energy: -1642.134
where: short stacking energy: -659.312
Base-Backbone interact. energy: -3.585
local terms energy: -700.710004
where:
bonds (distance) C4'-P energy: -147.792
bonds (distance) P-C4' energy: -132.412
flat angles C4'-P-C4' energy: -142.478
flat angles P-C4'-P energy: -89.312
tors. eta vs tors. theta energy: -188.717
Dist. restrs. and SS energy: 16.943 (S_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: 25
Temperature: 1.000000
Total energy: -2306.464850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.464850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.097916 (E_RNA)
where:
Base-Base interactions energy: -1634.521
where: short stacking energy: -638.376
Base-Backbone interact. energy: -1.370
local terms energy: -686.206464
where:
bonds (distance) C4'-P energy: -127.512
bonds (distance) P-C4' energy: -134.544
flat angles C4'-P-C4' energy: -141.790
flat angles P-C4'-P energy: -92.461
tors. eta vs tors. theta energy: -189.900
Dist. restrs. and SS energy: 15.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2330.330227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.330227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.383702 (E_RNA)
where:
Base-Base interactions energy: -1657.310
where: short stacking energy: -677.507
Base-Backbone interact. energy: -1.705
local terms energy: -687.368843
where:
bonds (distance) C4'-P energy: -127.360
bonds (distance) P-C4' energy: -139.390
flat angles C4'-P-C4' energy: -147.173
flat angles P-C4'-P energy: -86.920
tors. eta vs tors. theta energy: -186.525
Dist. restrs. and SS energy: 16.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2170.019500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.019500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.843012 (E_RNA)
where:
Base-Base interactions energy: -1553.006
where: short stacking energy: -624.463
Base-Backbone interact. energy: -1.368
local terms energy: -638.469093
where:
bonds (distance) C4'-P energy: -120.084
bonds (distance) P-C4' energy: -131.724
flat angles C4'-P-C4' energy: -140.875
flat angles P-C4'-P energy: -72.697
tors. eta vs tors. theta energy: -173.090
Dist. restrs. and SS energy: 22.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2195.511593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.511593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.704445 (E_RNA)
where:
Base-Base interactions energy: -1549.786
where: short stacking energy: -622.250
Base-Backbone interact. energy: -1.470
local terms energy: -664.448366
where:
bonds (distance) C4'-P energy: -130.920
bonds (distance) P-C4' energy: -126.867
flat angles C4'-P-C4' energy: -131.437
flat angles P-C4'-P energy: -82.426
tors. eta vs tors. theta energy: -192.798
Dist. restrs. and SS energy: 20.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2050.423709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.423709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.274678 (E_RNA)
where:
Base-Base interactions energy: -1450.580
where: short stacking energy: -582.906
Base-Backbone interact. energy: -1.935
local terms energy: -616.759144
where:
bonds (distance) C4'-P energy: -128.330
bonds (distance) P-C4' energy: -116.197
flat angles C4'-P-C4' energy: -130.155
flat angles P-C4'-P energy: -67.394
tors. eta vs tors. theta energy: -174.682
Dist. restrs. and SS energy: 18.851 (S_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: 25
Temperature: 1.250000
Total energy: -1966.087638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.087638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.762557 (E_RNA)
where:
Base-Base interactions energy: -1415.579
where: short stacking energy: -549.728
Base-Backbone interact. energy: -0.801
local terms energy: -568.382138
where:
bonds (distance) C4'-P energy: -124.390
bonds (distance) P-C4' energy: -100.944
flat angles C4'-P-C4' energy: -105.584
flat angles P-C4'-P energy: -82.689
tors. eta vs tors. theta energy: -154.775
Dist. restrs. and SS energy: 18.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1889.523100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.523100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.566248 (E_RNA)
where:
Base-Base interactions energy: -1326.840
where: short stacking energy: -541.431
Base-Backbone interact. energy: 4.044
local terms energy: -590.769720
where:
bonds (distance) C4'-P energy: -113.294
bonds (distance) P-C4' energy: -122.277
flat angles C4'-P-C4' energy: -125.000
flat angles P-C4'-P energy: -63.170
tors. eta vs tors. theta energy: -167.028
Dist. restrs. and SS energy: 24.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1572.960694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.960694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.293136 (E_RNA)
where:
Base-Base interactions energy: -1113.260
where: short stacking energy: -456.872
Base-Backbone interact. energy: -3.005
local terms energy: -511.028048
where:
bonds (distance) C4'-P energy: -93.146
bonds (distance) P-C4' energy: -104.347
flat angles C4'-P-C4' energy: -115.220
flat angles P-C4'-P energy: -70.345
tors. eta vs tors. theta energy: -127.969
Dist. restrs. and SS energy: 54.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2432.160550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.160550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.591701 (E_RNA)
where:
Base-Base interactions energy: -1691.746
where: short stacking energy: -685.441
Base-Backbone interact. energy: -2.745
local terms energy: -754.100776
where:
bonds (distance) C4'-P energy: -140.890
bonds (distance) P-C4' energy: -138.529
flat angles C4'-P-C4' energy: -158.312
flat angles P-C4'-P energy: -106.116
tors. eta vs tors. theta energy: -210.253
Dist. restrs. and SS energy: 16.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2303.727764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.727764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.717417 (E_RNA)
where:
Base-Base interactions energy: -1634.586
where: short stacking energy: -664.063
Base-Backbone interact. energy: -1.199
local terms energy: -694.932289
where:
bonds (distance) C4'-P energy: -134.012
bonds (distance) P-C4' energy: -129.178
flat angles C4'-P-C4' energy: -154.314
flat angles P-C4'-P energy: -90.866
tors. eta vs tors. theta energy: -186.562
Dist. restrs. and SS energy: 26.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2399.926611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.926611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.154881 (E_RNA)
where:
Base-Base interactions energy: -1705.592
where: short stacking energy: -698.678
Base-Backbone interact. energy: -1.601
local terms energy: -704.961749
where:
bonds (distance) C4'-P energy: -134.742
bonds (distance) P-C4' energy: -129.328
flat angles C4'-P-C4' energy: -141.456
flat angles P-C4'-P energy: -81.277
tors. eta vs tors. theta energy: -218.158
Dist. restrs. and SS energy: 12.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2264.554188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.554188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.158077 (E_RNA)
where:
Base-Base interactions energy: -1589.327
where: short stacking energy: -623.318
Base-Backbone interact. energy: -2.211
local terms energy: -689.620312
where:
bonds (distance) C4'-P energy: -125.640
bonds (distance) P-C4' energy: -134.691
flat angles C4'-P-C4' energy: -147.891
flat angles P-C4'-P energy: -91.283
tors. eta vs tors. theta energy: -190.115
Dist. restrs. and SS energy: 16.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2243.497095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.497095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.799743 (E_RNA)
where:
Base-Base interactions energy: -1558.820
where: short stacking energy: -651.321
Base-Backbone interact. energy: -1.711
local terms energy: -707.269115
where:
bonds (distance) C4'-P energy: -133.619
bonds (distance) P-C4' energy: -133.208
flat angles C4'-P-C4' energy: -145.682
flat angles P-C4'-P energy: -104.600
tors. eta vs tors. theta energy: -190.160
Dist. restrs. and SS energy: 24.303 (S_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: 26
Temperature: 1.150000
Total energy: -2105.863655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.863655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.327496 (E_RNA)
where:
Base-Base interactions energy: -1482.363
where: short stacking energy: -613.739
Base-Backbone interact. energy: -0.598
local terms energy: -652.366298
where:
bonds (distance) C4'-P energy: -123.171
bonds (distance) P-C4' energy: -131.958
flat angles C4'-P-C4' energy: -132.996
flat angles P-C4'-P energy: -93.968
tors. eta vs tors. theta energy: -170.274
Dist. restrs. and SS energy: 29.464 (S_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: 26
Temperature: 1.200000
Total energy: -2084.008737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.008737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.762043 (E_RNA)
where:
Base-Base interactions energy: -1497.525
where: short stacking energy: -590.474
Base-Backbone interact. energy: -0.076
local terms energy: -609.160333
where:
bonds (distance) C4'-P energy: -109.695
bonds (distance) P-C4' energy: -121.298
flat angles C4'-P-C4' energy: -127.586
flat angles P-C4'-P energy: -76.875
tors. eta vs tors. theta energy: -173.707
Dist. restrs. and SS energy: 22.753 (S_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: 26
Temperature: 1.250000
Total energy: -1989.096251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.096251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.334720 (E_RNA)
where:
Base-Base interactions energy: -1394.204
where: short stacking energy: -554.194
Base-Backbone interact. energy: -0.660
local terms energy: -620.470594
where:
bonds (distance) C4'-P energy: -125.561
bonds (distance) P-C4' energy: -118.652
flat angles C4'-P-C4' energy: -132.951
flat angles P-C4'-P energy: -83.893
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 26.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1945.900195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.900195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.637173 (E_RNA)
where:
Base-Base interactions energy: -1374.019
where: short stacking energy: -555.393
Base-Backbone interact. energy: -5.336
local terms energy: -593.282010
where:
bonds (distance) C4'-P energy: -124.878
bonds (distance) P-C4' energy: -107.345
flat angles C4'-P-C4' energy: -126.533
flat angles P-C4'-P energy: -70.973
tors. eta vs tors. theta energy: -163.552
Dist. restrs. and SS energy: 26.737 (S_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: 26
Temperature: 1.350000
Total energy: -1572.986003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.986003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.072979 (E_RNA)
where:
Base-Base interactions energy: -1111.439
where: short stacking energy: -472.270
Base-Backbone interact. energy: -2.859
local terms energy: -509.774155
where:
bonds (distance) C4'-P energy: -103.010
bonds (distance) P-C4' energy: -104.236
flat angles C4'-P-C4' energy: -108.654
flat angles P-C4'-P energy: -62.466
tors. eta vs tors. theta energy: -131.409
Dist. restrs. and SS energy: 51.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2430.550128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.550128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.409823 (E_RNA)
where:
Base-Base interactions energy: -1692.277
where: short stacking energy: -693.074
Base-Backbone interact. energy: -1.213
local terms energy: -753.919821
where:
bonds (distance) C4'-P energy: -143.455
bonds (distance) P-C4' energy: -141.370
flat angles C4'-P-C4' energy: -150.489
flat angles P-C4'-P energy: -116.145
tors. eta vs tors. theta energy: -202.461
Dist. restrs. and SS energy: 16.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2496.288818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.288818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.248463 (E_RNA)
where:
Base-Base interactions energy: -1776.198
where: short stacking energy: -726.693
Base-Backbone interact. energy: 2.108
local terms energy: -732.158348
where:
bonds (distance) C4'-P energy: -134.785
bonds (distance) P-C4' energy: -136.767
flat angles C4'-P-C4' energy: -145.242
flat angles P-C4'-P energy: -102.960
tors. eta vs tors. theta energy: -212.404
Dist. restrs. and SS energy: 9.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2291.166277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.166277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.202451 (E_RNA)
where:
Base-Base interactions energy: -1587.901
where: short stacking energy: -654.283
Base-Backbone interact. energy: -1.503
local terms energy: -720.799189
where:
bonds (distance) C4'-P energy: -142.310
bonds (distance) P-C4' energy: -137.702
flat angles C4'-P-C4' energy: -157.709
flat angles P-C4'-P energy: -101.901
tors. eta vs tors. theta energy: -181.178
Dist. restrs. and SS energy: 19.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2344.485425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.485425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.617522 (E_RNA)
where:
Base-Base interactions energy: -1660.627
where: short stacking energy: -682.532
Base-Backbone interact. energy: -0.584
local terms energy: -704.406836
where:
bonds (distance) C4'-P energy: -124.092
bonds (distance) P-C4' energy: -117.867
flat angles C4'-P-C4' energy: -152.099
flat angles P-C4'-P energy: -103.505
tors. eta vs tors. theta energy: -206.844
Dist. restrs. and SS energy: 21.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2125.065387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.065387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.353173 (E_RNA)
where:
Base-Base interactions energy: -1488.574
where: short stacking energy: -609.538
Base-Backbone interact. energy: 1.713
local terms energy: -661.492099
where:
bonds (distance) C4'-P energy: -131.070
bonds (distance) P-C4' energy: -114.338
flat angles C4'-P-C4' energy: -140.992
flat angles P-C4'-P energy: -86.188
tors. eta vs tors. theta energy: -188.904
Dist. restrs. and SS energy: 23.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2134.396657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.396657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.597224 (E_RNA)
where:
Base-Base interactions energy: -1505.106
where: short stacking energy: -588.106
Base-Backbone interact. energy: -1.052
local terms energy: -644.438470
where:
bonds (distance) C4'-P energy: -108.955
bonds (distance) P-C4' energy: -122.602
flat angles C4'-P-C4' energy: -156.307
flat angles P-C4'-P energy: -95.187
tors. eta vs tors. theta energy: -161.389
Dist. restrs. and SS energy: 16.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1955.231777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.231777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.981100 (E_RNA)
where:
Base-Base interactions energy: -1366.512
where: short stacking energy: -538.264
Base-Backbone interact. energy: -2.725
local terms energy: -606.743717
where:
bonds (distance) C4'-P energy: -111.527
bonds (distance) P-C4' energy: -118.423
flat angles C4'-P-C4' energy: -141.373
flat angles P-C4'-P energy: -72.805
tors. eta vs tors. theta energy: -162.617
Dist. restrs. and SS energy: 20.749 (S_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: 27
Temperature: 1.250000
Total energy: -2048.439012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.439012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.826683 (E_RNA)
where:
Base-Base interactions energy: -1439.265
where: short stacking energy: -579.454
Base-Backbone interact. energy: -3.248
local terms energy: -619.313185
where:
bonds (distance) C4'-P energy: -89.127
bonds (distance) P-C4' energy: -129.506
flat angles C4'-P-C4' energy: -151.711
flat angles P-C4'-P energy: -83.837
tors. eta vs tors. theta energy: -165.133
Dist. restrs. and SS energy: 13.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1890.453653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.453653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.582173 (E_RNA)
where:
Base-Base interactions energy: -1344.054
where: short stacking energy: -525.559
Base-Backbone interact. energy: -5.359
local terms energy: -567.168826
where:
bonds (distance) C4'-P energy: -99.014
bonds (distance) P-C4' energy: -113.762
flat angles C4'-P-C4' energy: -126.783
flat angles P-C4'-P energy: -69.397
tors. eta vs tors. theta energy: -158.212
Dist. restrs. and SS energy: 26.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1606.270766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.270766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.739528 (E_RNA)
where:
Base-Base interactions energy: -1149.286
where: short stacking energy: -469.224
Base-Backbone interact. energy: 3.643
local terms energy: -506.096614
where:
bonds (distance) C4'-P energy: -104.347
bonds (distance) P-C4' energy: -106.868
flat angles C4'-P-C4' energy: -99.580
flat angles P-C4'-P energy: -73.263
tors. eta vs tors. theta energy: -122.038
Dist. restrs. and SS energy: 45.469 (S_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: -2518.413604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.413604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.602776 (E_RNA)
where:
Base-Base interactions energy: -1797.966
where: short stacking energy: -707.974
Base-Backbone interact. energy: -1.894
local terms energy: -730.742700
where:
bonds (distance) C4'-P energy: -126.669
bonds (distance) P-C4' energy: -137.357
flat angles C4'-P-C4' energy: -150.643
flat angles P-C4'-P energy: -109.788
tors. eta vs tors. theta energy: -206.287
Dist. restrs. and SS energy: 12.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2380.198949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.198949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.084222 (E_RNA)
where:
Base-Base interactions energy: -1662.333
where: short stacking energy: -672.490
Base-Backbone interact. energy: -0.726
local terms energy: -729.024329
where:
bonds (distance) C4'-P energy: -141.831
bonds (distance) P-C4' energy: -137.523
flat angles C4'-P-C4' energy: -146.986
flat angles P-C4'-P energy: -102.724
tors. eta vs tors. theta energy: -199.960
Dist. restrs. and SS energy: 11.885 (S_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: 28
Temperature: 1.000000
Total energy: -2399.183934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.183934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.788276 (E_RNA)
where:
Base-Base interactions energy: -1684.180
where: short stacking energy: -711.564
Base-Backbone interact. energy: 1.034
local terms energy: -736.642889
where:
bonds (distance) C4'-P energy: -143.898
bonds (distance) P-C4' energy: -138.138
flat angles C4'-P-C4' energy: -139.271
flat angles P-C4'-P energy: -106.211
tors. eta vs tors. theta energy: -209.125
Dist. restrs. and SS energy: 20.604 (S_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: 28
Temperature: 1.050000
Total energy: -2225.288029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.288029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.698751 (E_RNA)
where:
Base-Base interactions energy: -1548.919
where: short stacking energy: -601.114
Base-Backbone interact. energy: -0.259
local terms energy: -693.520737
where:
bonds (distance) C4'-P energy: -148.761
bonds (distance) P-C4' energy: -125.112
flat angles C4'-P-C4' energy: -152.039
flat angles P-C4'-P energy: -90.997
tors. eta vs tors. theta energy: -176.611
Dist. restrs. and SS energy: 17.411 (S_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: 28
Temperature: 1.100000
Total energy: -2111.885422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.885422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.644077 (E_RNA)
where:
Base-Base interactions energy: -1479.768
where: short stacking energy: -617.384
Base-Backbone interact. energy: -1.541
local terms energy: -662.335669
where:
bonds (distance) C4'-P energy: -109.242
bonds (distance) P-C4' energy: -121.621
flat angles C4'-P-C4' energy: -147.222
flat angles P-C4'-P energy: -100.837
tors. eta vs tors. theta energy: -183.414
Dist. restrs. and SS energy: 31.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2116.753555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.753555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.154571 (E_RNA)
where:
Base-Base interactions energy: -1487.477
where: short stacking energy: -603.233
Base-Backbone interact. energy: -1.782
local terms energy: -645.895782
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -122.911
flat angles C4'-P-C4' energy: -143.782
flat angles P-C4'-P energy: -85.024
tors. eta vs tors. theta energy: -176.978
Dist. restrs. and SS energy: 18.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2130.060972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.060972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.031319 (E_RNA)
where:
Base-Base interactions energy: -1502.477
where: short stacking energy: -596.836
Base-Backbone interact. energy: 0.441
local terms energy: -653.995827
where:
bonds (distance) C4'-P energy: -129.938
bonds (distance) P-C4' energy: -131.286
flat angles C4'-P-C4' energy: -133.748
flat angles P-C4'-P energy: -91.158
tors. eta vs tors. theta energy: -167.865
Dist. restrs. and SS energy: 25.970 (S_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: 28
Temperature: 1.250000
Total energy: -1935.641788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.641788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.282160 (E_RNA)
where:
Base-Base interactions energy: -1383.407
where: short stacking energy: -557.173
Base-Backbone interact. energy: -0.342
local terms energy: -582.533026
where:
bonds (distance) C4'-P energy: -107.935
bonds (distance) P-C4' energy: -114.016
flat angles C4'-P-C4' energy: -113.405
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -162.727
Dist. restrs. and SS energy: 30.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1858.748433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.748433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.279941 (E_RNA)
where:
Base-Base interactions energy: -1310.396
where: short stacking energy: -514.845
Base-Backbone interact. energy: -0.811
local terms energy: -573.072757
where:
bonds (distance) C4'-P energy: -86.485
bonds (distance) P-C4' energy: -110.058
flat angles C4'-P-C4' energy: -131.966
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -163.473
Dist. restrs. and SS energy: 25.532 (S_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: 28
Temperature: 1.350000
Total energy: -1626.250795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.250795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.057910 (E_RNA)
where:
Base-Base interactions energy: -1149.356
where: short stacking energy: -458.275
Base-Backbone interact. energy: 4.451
local terms energy: -532.153561
where:
bonds (distance) C4'-P energy: -100.790
bonds (distance) P-C4' energy: -91.476
flat angles C4'-P-C4' energy: -117.482
flat angles P-C4'-P energy: -92.768
tors. eta vs tors. theta energy: -129.639
Dist. restrs. and SS energy: 50.807 (S_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: -2525.691306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.691306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.526893 (E_RNA)
where:
Base-Base interactions energy: -1774.440
where: short stacking energy: -698.754
Base-Backbone interact. energy: -3.948
local terms energy: -756.139060
where:
bonds (distance) C4'-P energy: -146.024
bonds (distance) P-C4' energy: -144.314
flat angles C4'-P-C4' energy: -144.156
flat angles P-C4'-P energy: -115.259
tors. eta vs tors. theta energy: -206.386
Dist. restrs. and SS energy: 8.836 (S_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: 29
Temperature: 0.950000
Total energy: -2448.018054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.018054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.837722 (E_RNA)
where:
Base-Base interactions energy: -1710.528
where: short stacking energy: -725.470
Base-Backbone interact. energy: 0.670
local terms energy: -760.979308
where:
bonds (distance) C4'-P energy: -146.676
bonds (distance) P-C4' energy: -132.827
flat angles C4'-P-C4' energy: -151.029
flat angles P-C4'-P energy: -114.848
tors. eta vs tors. theta energy: -215.598
Dist. restrs. and SS energy: 22.820 (S_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: 29
Temperature: 1.000000
Total energy: -2324.516807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.516807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.686453 (E_RNA)
where:
Base-Base interactions energy: -1631.207
where: short stacking energy: -643.528
Base-Backbone interact. energy: -4.824
local terms energy: -711.654982
where:
bonds (distance) C4'-P energy: -135.796
bonds (distance) P-C4' energy: -137.987
flat angles C4'-P-C4' energy: -156.318
flat angles P-C4'-P energy: -84.352
tors. eta vs tors. theta energy: -197.201
Dist. restrs. and SS energy: 23.170 (S_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: 29
Temperature: 1.050000
Total energy: -2242.488856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.488856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.749891 (E_RNA)
where:
Base-Base interactions energy: -1581.344
where: short stacking energy: -623.572
Base-Backbone interact. energy: -2.353
local terms energy: -683.053690
where:
bonds (distance) C4'-P energy: -136.842
bonds (distance) P-C4' energy: -115.767
flat angles C4'-P-C4' energy: -155.303
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -186.262
Dist. restrs. and SS energy: 24.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2175.968902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.968902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.908742 (E_RNA)
where:
Base-Base interactions energy: -1521.713
where: short stacking energy: -585.741
Base-Backbone interact. energy: -2.518
local terms energy: -666.677604
where:
bonds (distance) C4'-P energy: -132.760
bonds (distance) P-C4' energy: -133.958
flat angles C4'-P-C4' energy: -153.066
flat angles P-C4'-P energy: -72.294
tors. eta vs tors. theta energy: -174.600
Dist. restrs. and SS energy: 14.940 (S_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: 29
Temperature: 1.150000
Total energy: -2128.606584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.293649 (E_RNA)
where:
Base-Base interactions energy: -1510.088
where: short stacking energy: -624.388
Base-Backbone interact. energy: -2.996
local terms energy: -640.210129
where:
bonds (distance) C4'-P energy: -131.230
bonds (distance) P-C4' energy: -109.681
flat angles C4'-P-C4' energy: -140.793
flat angles P-C4'-P energy: -78.742
tors. eta vs tors. theta energy: -179.765
Dist. restrs. and SS energy: 24.687 (S_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: 29
Temperature: 1.200000
Total energy: -2112.526216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.526216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.241682 (E_RNA)
where:
Base-Base interactions energy: -1502.770
where: short stacking energy: -617.704
Base-Backbone interact. energy: -1.714
local terms energy: -622.757753
where:
bonds (distance) C4'-P energy: -114.799
bonds (distance) P-C4' energy: -129.723
flat angles C4'-P-C4' energy: -118.107
flat angles P-C4'-P energy: -81.755
tors. eta vs tors. theta energy: -178.373
Dist. restrs. and SS energy: 14.715 (S_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: 29
Temperature: 1.250000
Total energy: -1901.593391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.593391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.684860 (E_RNA)
where:
Base-Base interactions energy: -1332.448
where: short stacking energy: -561.183
Base-Backbone interact. energy: 1.029
local terms energy: -614.266084
where:
bonds (distance) C4'-P energy: -126.166
bonds (distance) P-C4' energy: -118.891
flat angles C4'-P-C4' energy: -120.013
flat angles P-C4'-P energy: -78.568
tors. eta vs tors. theta energy: -170.628
Dist. restrs. and SS energy: 44.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1908.854546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.854546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.892981 (E_RNA)
where:
Base-Base interactions energy: -1352.604
where: short stacking energy: -554.527
Base-Backbone interact. energy: -0.599
local terms energy: -582.690200
where:
bonds (distance) C4'-P energy: -109.487
bonds (distance) P-C4' energy: -111.465
flat angles C4'-P-C4' energy: -121.986
flat angles P-C4'-P energy: -81.756
tors. eta vs tors. theta energy: -157.996
Dist. restrs. and SS energy: 27.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1579.673725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.673725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.354673 (E_RNA)
where:
Base-Base interactions energy: -1125.341
where: short stacking energy: -459.659
Base-Backbone interact. energy: 3.581
local terms energy: -511.594816
where:
bonds (distance) C4'-P energy: -108.004
bonds (distance) P-C4' energy: -98.193
flat angles C4'-P-C4' energy: -120.363
flat angles P-C4'-P energy: -58.231
tors. eta vs tors. theta energy: -126.804
Dist. restrs. and SS energy: 53.681 (S_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: -2550.618994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.618994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.118900 (E_RNA)
where:
Base-Base interactions energy: -1801.583
where: short stacking energy: -716.726
Base-Backbone interact. energy: -7.397
local terms energy: -754.138554
where:
bonds (distance) C4'-P energy: -131.291
bonds (distance) P-C4' energy: -144.663
flat angles C4'-P-C4' energy: -157.806
flat angles P-C4'-P energy: -112.781
tors. eta vs tors. theta energy: -207.598
Dist. restrs. and SS energy: 12.500 (S_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: 30
Temperature: 0.950000
Total energy: -2475.991124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.991124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.099654 (E_RNA)
where:
Base-Base interactions energy: -1766.182
where: short stacking energy: -744.986
Base-Backbone interact. energy: -1.267
local terms energy: -730.650706
where:
bonds (distance) C4'-P energy: -117.322
bonds (distance) P-C4' energy: -140.041
flat angles C4'-P-C4' energy: -153.494
flat angles P-C4'-P energy: -107.127
tors. eta vs tors. theta energy: -212.666
Dist. restrs. and SS energy: 22.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2370.621544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.621544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.606657 (E_RNA)
where:
Base-Base interactions energy: -1671.312
where: short stacking energy: -681.431
Base-Backbone interact. energy: -1.998
local terms energy: -713.296979
where:
bonds (distance) C4'-P energy: -131.229
bonds (distance) P-C4' energy: -136.950
flat angles C4'-P-C4' energy: -144.831
flat angles P-C4'-P energy: -105.951
tors. eta vs tors. theta energy: -194.336
Dist. restrs. and SS energy: 15.985 (S_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: 30
Temperature: 1.050000
Total energy: -2244.472687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.472687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.740986 (E_RNA)
where:
Base-Base interactions energy: -1602.115
where: short stacking energy: -664.779
Base-Backbone interact. energy: -0.998
local terms energy: -662.627237
where:
bonds (distance) C4'-P energy: -117.995
bonds (distance) P-C4' energy: -129.560
flat angles C4'-P-C4' energy: -138.610
flat angles P-C4'-P energy: -78.475
tors. eta vs tors. theta energy: -197.987
Dist. restrs. and SS energy: 21.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2148.033975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.033975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.528876 (E_RNA)
where:
Base-Base interactions energy: -1511.632
where: short stacking energy: -602.757
Base-Backbone interact. energy: -1.195
local terms energy: -653.701756
where:
bonds (distance) C4'-P energy: -135.484
bonds (distance) P-C4' energy: -128.853
flat angles C4'-P-C4' energy: -131.449
flat angles P-C4'-P energy: -79.662
tors. eta vs tors. theta energy: -178.253
Dist. restrs. and SS energy: 18.495 (S_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: 30
Temperature: 1.150000
Total energy: -2224.633849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.633849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.012628 (E_RNA)
where:
Base-Base interactions energy: -1574.873
where: short stacking energy: -651.050
Base-Backbone interact. energy: -0.727
local terms energy: -662.412655
where:
bonds (distance) C4'-P energy: -115.335
bonds (distance) P-C4' energy: -121.983
flat angles C4'-P-C4' energy: -136.703
flat angles P-C4'-P energy: -94.428
tors. eta vs tors. theta energy: -193.963
Dist. restrs. and SS energy: 13.379 (S_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: 30
Temperature: 1.200000
Total energy: -2080.834101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.834101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.104282 (E_RNA)
where:
Base-Base interactions energy: -1479.314
where: short stacking energy: -596.411
Base-Backbone interact. energy: -2.656
local terms energy: -622.134152
where:
bonds (distance) C4'-P energy: -111.120
bonds (distance) P-C4' energy: -103.113
flat angles C4'-P-C4' energy: -124.243
flat angles P-C4'-P energy: -96.639
tors. eta vs tors. theta energy: -187.019
Dist. restrs. and SS energy: 23.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1900.205663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.205663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.874946 (E_RNA)
where:
Base-Base interactions energy: -1353.966
where: short stacking energy: -543.682
Base-Backbone interact. energy: -2.632
local terms energy: -568.277560
where:
bonds (distance) C4'-P energy: -99.722
bonds (distance) P-C4' energy: -107.098
flat angles C4'-P-C4' energy: -128.498
flat angles P-C4'-P energy: -79.872
tors. eta vs tors. theta energy: -153.087
Dist. restrs. and SS energy: 24.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1873.085194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.085194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.278551 (E_RNA)
where:
Base-Base interactions energy: -1313.850
where: short stacking energy: -510.454
Base-Backbone interact. energy: -1.928
local terms energy: -591.500519
where:
bonds (distance) C4'-P energy: -110.997
bonds (distance) P-C4' energy: -112.519
flat angles C4'-P-C4' energy: -132.862
flat angles P-C4'-P energy: -86.227
tors. eta vs tors. theta energy: -148.895
Dist. restrs. and SS energy: 34.193 (S_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: 30
Temperature: 1.350000
Total energy: -1637.552717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.552717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.547229 (E_RNA)
where:
Base-Base interactions energy: -1155.171
where: short stacking energy: -433.981
Base-Backbone interact. energy: 2.173
local terms energy: -518.549232
where:
bonds (distance) C4'-P energy: -100.774
bonds (distance) P-C4' energy: -114.115
flat angles C4'-P-C4' energy: -109.379
flat angles P-C4'-P energy: -69.814
tors. eta vs tors. theta energy: -124.467
Dist. restrs. and SS energy: 33.995 (S_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: -2554.679932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.679932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.358923 (E_RNA)
where:
Base-Base interactions energy: -1786.999
where: short stacking energy: -719.142
Base-Backbone interact. energy: -2.052
local terms energy: -780.307712
where:
bonds (distance) C4'-P energy: -142.689
bonds (distance) P-C4' energy: -141.655
flat angles C4'-P-C4' energy: -171.761
flat angles P-C4'-P energy: -113.646
tors. eta vs tors. theta energy: -210.557
Dist. restrs. and SS energy: 14.679 (S_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: 31
Temperature: 0.950000
Total energy: -2450.993544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.993544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.034589 (E_RNA)
where:
Base-Base interactions energy: -1735.300
where: short stacking energy: -714.901
Base-Backbone interact. energy: -2.487
local terms energy: -729.247724
where:
bonds (distance) C4'-P energy: -115.756
bonds (distance) P-C4' energy: -125.175
flat angles C4'-P-C4' energy: -169.506
flat angles P-C4'-P energy: -108.861
tors. eta vs tors. theta energy: -209.950
Dist. restrs. and SS energy: 16.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2317.047788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.047788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.343232 (E_RNA)
where:
Base-Base interactions energy: -1638.087
where: short stacking energy: -666.195
Base-Backbone interact. energy: -1.149
local terms energy: -692.107387
where:
bonds (distance) C4'-P energy: -143.018
bonds (distance) P-C4' energy: -134.179
flat angles C4'-P-C4' energy: -145.711
flat angles P-C4'-P energy: -80.048
tors. eta vs tors. theta energy: -189.152
Dist. restrs. and SS energy: 14.295 (S_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: 31
Temperature: 1.050000
Total energy: -2255.065624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.065624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.841710 (E_RNA)
where:
Base-Base interactions energy: -1593.387
where: short stacking energy: -650.564
Base-Backbone interact. energy: -0.587
local terms energy: -682.867798
where:
bonds (distance) C4'-P energy: -115.059
bonds (distance) P-C4' energy: -134.474
flat angles C4'-P-C4' energy: -146.522
flat angles P-C4'-P energy: -91.584
tors. eta vs tors. theta energy: -195.229
Dist. restrs. and SS energy: 21.776 (S_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: 31
Temperature: 1.100000
Total energy: -2192.825705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.825705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.040783 (E_RNA)
where:
Base-Base interactions energy: -1534.268
where: short stacking energy: -625.987
Base-Backbone interact. energy: -1.790
local terms energy: -673.982919
where:
bonds (distance) C4'-P energy: -120.435
bonds (distance) P-C4' energy: -122.786
flat angles C4'-P-C4' energy: -140.705
flat angles P-C4'-P energy: -106.038
tors. eta vs tors. theta energy: -184.018
Dist. restrs. and SS energy: 17.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2203.821036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.821036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.579363 (E_RNA)
where:
Base-Base interactions energy: -1548.366
where: short stacking energy: -621.035
Base-Backbone interact. energy: 8.061
local terms energy: -676.273745
where:
bonds (distance) C4'-P energy: -133.157
bonds (distance) P-C4' energy: -126.933
flat angles C4'-P-C4' energy: -145.279
flat angles P-C4'-P energy: -87.320
tors. eta vs tors. theta energy: -183.585
Dist. restrs. and SS energy: 12.758 (S_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: 31
Temperature: 1.200000
Total energy: -2146.667052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.667052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.379669 (E_RNA)
where:
Base-Base interactions energy: -1497.295
where: short stacking energy: -627.823
Base-Backbone interact. energy: -0.263
local terms energy: -671.821199
where:
bonds (distance) C4'-P energy: -115.372
bonds (distance) P-C4' energy: -133.454
flat angles C4'-P-C4' energy: -145.831
flat angles P-C4'-P energy: -96.053
tors. eta vs tors. theta energy: -181.111
Dist. restrs. and SS energy: 22.713 (S_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: 31
Temperature: 1.250000
Total energy: -2001.421602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.421602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.236042 (E_RNA)
where:
Base-Base interactions energy: -1434.202
where: short stacking energy: -568.475
Base-Backbone interact. energy: 1.008
local terms energy: -592.041652
where:
bonds (distance) C4'-P energy: -107.941
bonds (distance) P-C4' energy: -102.014
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -75.630
tors. eta vs tors. theta energy: -167.696
Dist. restrs. and SS energy: 23.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1865.758666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.758666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.039324 (E_RNA)
where:
Base-Base interactions energy: -1283.425
where: short stacking energy: -518.964
Base-Backbone interact. energy: 1.333
local terms energy: -606.948038
where:
bonds (distance) C4'-P energy: -114.709
bonds (distance) P-C4' energy: -111.100
flat angles C4'-P-C4' energy: -127.886
flat angles P-C4'-P energy: -95.897
tors. eta vs tors. theta energy: -157.355
Dist. restrs. and SS energy: 23.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1675.945110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.945110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.747705 (E_RNA)
where:
Base-Base interactions energy: -1174.413
where: short stacking energy: -478.118
Base-Backbone interact. energy: -1.778
local terms energy: -554.557271
where:
bonds (distance) C4'-P energy: -104.824
bonds (distance) P-C4' energy: -122.756
flat angles C4'-P-C4' energy: -116.640
flat angles P-C4'-P energy: -74.660
tors. eta vs tors. theta energy: -135.678
Dist. restrs. and SS energy: 54.803 (S_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: -2549.940011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.940011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.114541 (E_RNA)
where:
Base-Base interactions energy: -1808.240
where: short stacking energy: -728.742
Base-Backbone interact. energy: -2.744
local terms energy: -746.130271
where:
bonds (distance) C4'-P energy: -132.688
bonds (distance) P-C4' energy: -142.250
flat angles C4'-P-C4' energy: -143.923
flat angles P-C4'-P energy: -110.311
tors. eta vs tors. theta energy: -216.958
Dist. restrs. and SS energy: 7.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2514.254873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.254873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.732810 (E_RNA)
where:
Base-Base interactions energy: -1757.366
where: short stacking energy: -743.774
Base-Backbone interact. energy: -1.055
local terms energy: -773.311880
where:
bonds (distance) C4'-P energy: -133.933
bonds (distance) P-C4' energy: -145.310
flat angles C4'-P-C4' energy: -161.956
flat angles P-C4'-P energy: -111.148
tors. eta vs tors. theta energy: -220.965
Dist. restrs. and SS energy: 17.478 (S_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: 32
Temperature: 1.000000
Total energy: -2334.114638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.114638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.157633 (E_RNA)
where:
Base-Base interactions energy: -1630.747
where: short stacking energy: -672.420
Base-Backbone interact. energy: -3.125
local terms energy: -713.285969
where:
bonds (distance) C4'-P energy: -127.419
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -150.424
flat angles P-C4'-P energy: -108.276
tors. eta vs tors. theta energy: -196.975
Dist. restrs. and SS energy: 13.043 (S_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: 32
Temperature: 1.050000
Total energy: -2265.832148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.832148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.566077 (E_RNA)
where:
Base-Base interactions energy: -1614.538
where: short stacking energy: -645.432
Base-Backbone interact. energy: 8.131
local terms energy: -679.158663
where:
bonds (distance) C4'-P energy: -122.502
bonds (distance) P-C4' energy: -133.142
flat angles C4'-P-C4' energy: -145.338
flat angles P-C4'-P energy: -88.741
tors. eta vs tors. theta energy: -189.436
Dist. restrs. and SS energy: 19.734 (S_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: 32
Temperature: 1.100000
Total energy: -2324.321215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.321215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.427271 (E_RNA)
where:
Base-Base interactions energy: -1621.539
where: short stacking energy: -686.506
Base-Backbone interact. energy: -0.812
local terms energy: -719.076897
where:
bonds (distance) C4'-P energy: -146.971
bonds (distance) P-C4' energy: -118.301
flat angles C4'-P-C4' energy: -140.911
flat angles P-C4'-P energy: -98.512
tors. eta vs tors. theta energy: -214.381
Dist. restrs. and SS energy: 17.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2075.860048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.860048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.148378 (E_RNA)
where:
Base-Base interactions energy: -1459.579
where: short stacking energy: -580.369
Base-Backbone interact. energy: 3.304
local terms energy: -640.873284
where:
bonds (distance) C4'-P energy: -111.163
bonds (distance) P-C4' energy: -123.822
flat angles C4'-P-C4' energy: -145.862
flat angles P-C4'-P energy: -87.677
tors. eta vs tors. theta energy: -172.349
Dist. restrs. and SS energy: 21.288 (S_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: 32
Temperature: 1.200000
Total energy: -2118.676476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.676476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.831942 (E_RNA)
where:
Base-Base interactions energy: -1502.551
where: short stacking energy: -619.973
Base-Backbone interact. energy: -0.881
local terms energy: -639.399773
where:
bonds (distance) C4'-P energy: -123.570
bonds (distance) P-C4' energy: -113.188
flat angles C4'-P-C4' energy: -140.210
flat angles P-C4'-P energy: -75.424
tors. eta vs tors. theta energy: -187.007
Dist. restrs. and SS energy: 24.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -2083.513468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.513468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.934821 (E_RNA)
where:
Base-Base interactions energy: -1481.255
where: short stacking energy: -631.855
Base-Backbone interact. energy: -1.270
local terms energy: -620.410354
where:
bonds (distance) C4'-P energy: -98.376
bonds (distance) P-C4' energy: -117.724
flat angles C4'-P-C4' energy: -128.784
flat angles P-C4'-P energy: -89.379
tors. eta vs tors. theta energy: -186.148
Dist. restrs. and SS energy: 19.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1919.325533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.325533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.017088 (E_RNA)
where:
Base-Base interactions energy: -1380.038
where: short stacking energy: -546.114
Base-Backbone interact. energy: 1.859
local terms energy: -558.837816
where:
bonds (distance) C4'-P energy: -94.431
bonds (distance) P-C4' energy: -116.090
flat angles C4'-P-C4' energy: -134.198
flat angles P-C4'-P energy: -70.386
tors. eta vs tors. theta energy: -143.732
Dist. restrs. and SS energy: 17.692 (S_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: 32
Temperature: 1.350000
Total energy: -1615.315465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.315465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.084784 (E_RNA)
where:
Base-Base interactions energy: -1121.958
where: short stacking energy: -455.181
Base-Backbone interact. energy: -3.790
local terms energy: -537.336617
where:
bonds (distance) C4'-P energy: -102.211
bonds (distance) P-C4' energy: -111.788
flat angles C4'-P-C4' energy: -121.139
flat angles P-C4'-P energy: -67.852
tors. eta vs tors. theta energy: -134.347
Dist. restrs. and SS energy: 47.769 (S_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: -2545.419583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.419583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.969198 (E_RNA)
where:
Base-Base interactions energy: -1806.782
where: short stacking energy: -722.368
Base-Backbone interact. energy: -3.274
local terms energy: -746.913291
where:
bonds (distance) C4'-P energy: -127.001
bonds (distance) P-C4' energy: -138.314
flat angles C4'-P-C4' energy: -163.635
flat angles P-C4'-P energy: -107.034
tors. eta vs tors. theta energy: -210.929
Dist. restrs. and SS energy: 11.550 (S_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: 33
Temperature: 0.950000
Total energy: -2530.929596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.929596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.181886 (E_RNA)
where:
Base-Base interactions energy: -1778.110
where: short stacking energy: -732.872
Base-Backbone interact. energy: -0.226
local terms energy: -759.845624
where:
bonds (distance) C4'-P energy: -156.463
bonds (distance) P-C4' energy: -123.676
flat angles C4'-P-C4' energy: -153.891
flat angles P-C4'-P energy: -107.492
tors. eta vs tors. theta energy: -218.324
Dist. restrs. and SS energy: 7.252 (S_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: 33
Temperature: 1.000000
Total energy: -2382.116652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.116652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.663569 (E_RNA)
where:
Base-Base interactions energy: -1676.262
where: short stacking energy: -694.792
Base-Backbone interact. energy: -0.815
local terms energy: -718.586196
where:
bonds (distance) C4'-P energy: -135.753
bonds (distance) P-C4' energy: -147.189
flat angles C4'-P-C4' energy: -144.270
flat angles P-C4'-P energy: -103.457
tors. eta vs tors. theta energy: -187.917
Dist. restrs. and SS energy: 13.547 (S_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: 33
Temperature: 1.050000
Total energy: -2383.636793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.636793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.884057 (E_RNA)
where:
Base-Base interactions energy: -1695.035
where: short stacking energy: -700.051
Base-Backbone interact. energy: -2.718
local terms energy: -701.131584
where:
bonds (distance) C4'-P energy: -110.392
bonds (distance) P-C4' energy: -135.113
flat angles C4'-P-C4' energy: -144.828
flat angles P-C4'-P energy: -94.821
tors. eta vs tors. theta energy: -215.977
Dist. restrs. and SS energy: 15.247 (S_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: 33
Temperature: 1.100000
Total energy: -2214.059201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.059201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.894724 (E_RNA)
where:
Base-Base interactions energy: -1561.526
where: short stacking energy: -653.556
Base-Backbone interact. energy: -0.415
local terms energy: -673.953851
where:
bonds (distance) C4'-P energy: -124.150
bonds (distance) P-C4' energy: -131.389
flat angles C4'-P-C4' energy: -145.272
flat angles P-C4'-P energy: -82.994
tors. eta vs tors. theta energy: -190.148
Dist. restrs. and SS energy: 21.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2218.259056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.259056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.559757 (E_RNA)
where:
Base-Base interactions energy: -1582.443
where: short stacking energy: -671.067
Base-Backbone interact. energy: 2.489
local terms energy: -652.604868
where:
bonds (distance) C4'-P energy: -115.408
bonds (distance) P-C4' energy: -125.154
flat angles C4'-P-C4' energy: -131.116
flat angles P-C4'-P energy: -92.624
tors. eta vs tors. theta energy: -188.303
Dist. restrs. and SS energy: 14.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2066.703712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.703712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.257874 (E_RNA)
where:
Base-Base interactions energy: -1474.238
where: short stacking energy: -605.891
Base-Backbone interact. energy: 0.711
local terms energy: -619.730661
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -126.654
flat angles C4'-P-C4' energy: -136.834
flat angles P-C4'-P energy: -68.691
tors. eta vs tors. theta energy: -164.464
Dist. restrs. and SS energy: 26.554 (S_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: 33
Temperature: 1.250000
Total energy: -2024.595381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.595381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.952059 (E_RNA)
where:
Base-Base interactions energy: -1425.625
where: short stacking energy: -566.419
Base-Backbone interact. energy: -1.312
local terms energy: -613.015892
where:
bonds (distance) C4'-P energy: -103.670
bonds (distance) P-C4' energy: -119.718
flat angles C4'-P-C4' energy: -123.980
flat angles P-C4'-P energy: -93.950
tors. eta vs tors. theta energy: -171.698
Dist. restrs. and SS energy: 15.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1920.218255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.218255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.384839 (E_RNA)
where:
Base-Base interactions energy: -1396.220
where: short stacking energy: -571.198
Base-Backbone interact. energy: -1.426
local terms energy: -550.738382
where:
bonds (distance) C4'-P energy: -111.944
bonds (distance) P-C4' energy: -95.776
flat angles C4'-P-C4' energy: -121.247
flat angles P-C4'-P energy: -60.848
tors. eta vs tors. theta energy: -160.923
Dist. restrs. and SS energy: 28.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1684.052039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.052039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.541818 (E_RNA)
where:
Base-Base interactions energy: -1196.011
where: short stacking energy: -464.227
Base-Backbone interact. energy: -1.414
local terms energy: -530.116014
where:
bonds (distance) C4'-P energy: -90.765
bonds (distance) P-C4' energy: -110.544
flat angles C4'-P-C4' energy: -124.531
flat angles P-C4'-P energy: -73.329
tors. eta vs tors. theta energy: -130.947
Dist. restrs. and SS energy: 43.490 (S_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: 34
Temperature: 0.900000
Total energy: -2572.162510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.162510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.538375 (E_RNA)
where:
Base-Base interactions energy: -1851.629
where: short stacking energy: -735.697
Base-Backbone interact. energy: -0.148
local terms energy: -731.761052
where:
bonds (distance) C4'-P energy: -130.571
bonds (distance) P-C4' energy: -139.354
flat angles C4'-P-C4' energy: -147.593
flat angles P-C4'-P energy: -96.599
tors. eta vs tors. theta energy: -217.645
Dist. restrs. and SS energy: 11.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2532.222616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.222616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.547012 (E_RNA)
where:
Base-Base interactions energy: -1796.552
where: short stacking energy: -739.143
Base-Backbone interact. energy: -3.690
local terms energy: -746.305209
where:
bonds (distance) C4'-P energy: -135.589
bonds (distance) P-C4' energy: -132.680
flat angles C4'-P-C4' energy: -156.476
flat angles P-C4'-P energy: -103.721
tors. eta vs tors. theta energy: -217.839
Dist. restrs. and SS energy: 14.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2497.376303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.376303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.615432 (E_RNA)
where:
Base-Base interactions energy: -1786.008
where: short stacking energy: -735.249
Base-Backbone interact. energy: -1.594
local terms energy: -720.012814
where:
bonds (distance) C4'-P energy: -124.644
bonds (distance) P-C4' energy: -125.016
flat angles C4'-P-C4' energy: -152.547
flat angles P-C4'-P energy: -98.925
tors. eta vs tors. theta energy: -218.881
Dist. restrs. and SS energy: 10.239 (S_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: 34
Temperature: 1.050000
Total energy: -2317.492537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.492537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.597571 (E_RNA)
where:
Base-Base interactions energy: -1624.019
where: short stacking energy: -673.004
Base-Backbone interact. energy: 0.401
local terms energy: -706.978764
where:
bonds (distance) C4'-P energy: -133.399
bonds (distance) P-C4' energy: -132.417
flat angles C4'-P-C4' energy: -148.500
flat angles P-C4'-P energy: -84.978
tors. eta vs tors. theta energy: -207.684
Dist. restrs. and SS energy: 13.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2236.097498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.097498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.029167 (E_RNA)
where:
Base-Base interactions energy: -1550.734
where: short stacking energy: -639.152
Base-Backbone interact. energy: -0.051
local terms energy: -708.243896
where:
bonds (distance) C4'-P energy: -141.270
bonds (distance) P-C4' energy: -139.853
flat angles C4'-P-C4' energy: -127.971
flat angles P-C4'-P energy: -102.802
tors. eta vs tors. theta energy: -196.348
Dist. restrs. and SS energy: 22.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2176.313167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.313167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.938567 (E_RNA)
where:
Base-Base interactions energy: -1533.308
where: short stacking energy: -638.217
Base-Backbone interact. energy: -0.440
local terms energy: -661.189882
where:
bonds (distance) C4'-P energy: -102.676
bonds (distance) P-C4' energy: -123.955
flat angles C4'-P-C4' energy: -136.792
flat angles P-C4'-P energy: -106.668
tors. eta vs tors. theta energy: -191.099
Dist. restrs. and SS energy: 18.625 (S_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: 34
Temperature: 1.200000
Total energy: -2081.064221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.064221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.973608 (E_RNA)
where:
Base-Base interactions energy: -1454.488
where: short stacking energy: -583.387
Base-Backbone interact. energy: -3.113
local terms energy: -636.373024
where:
bonds (distance) C4'-P energy: -111.656
bonds (distance) P-C4' energy: -132.535
flat angles C4'-P-C4' energy: -147.564
flat angles P-C4'-P energy: -78.094
tors. eta vs tors. theta energy: -166.524
Dist. restrs. and SS energy: 12.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1966.093636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.093636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.719786 (E_RNA)
where:
Base-Base interactions energy: -1386.340
where: short stacking energy: -547.450
Base-Backbone interact. energy: -4.047
local terms energy: -599.332856
where:
bonds (distance) C4'-P energy: -114.380
bonds (distance) P-C4' energy: -113.991
flat angles C4'-P-C4' energy: -126.485
flat angles P-C4'-P energy: -76.817
tors. eta vs tors. theta energy: -167.660
Dist. restrs. and SS energy: 23.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1950.247885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.247885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.735746 (E_RNA)
where:
Base-Base interactions energy: -1401.372
where: short stacking energy: -554.548
Base-Backbone interact. energy: 2.607
local terms energy: -579.970939
where:
bonds (distance) C4'-P energy: -104.367
bonds (distance) P-C4' energy: -134.377
flat angles C4'-P-C4' energy: -110.881
flat angles P-C4'-P energy: -77.318
tors. eta vs tors. theta energy: -153.027
Dist. restrs. and SS energy: 28.488 (S_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: 34
Temperature: 1.350000
Total energy: -1697.321609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.321609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.040330 (E_RNA)
where:
Base-Base interactions energy: -1186.773
where: short stacking energy: -484.222
Base-Backbone interact. energy: -1.833
local terms energy: -544.434218
where:
bonds (distance) C4'-P energy: -114.644
bonds (distance) P-C4' energy: -121.682
flat angles C4'-P-C4' energy: -120.054
flat angles P-C4'-P energy: -61.505
tors. eta vs tors. theta energy: -126.548
Dist. restrs. and SS energy: 35.719 (S_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: 35
Temperature: 0.900000
Total energy: -2577.648511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.648511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.943990 (E_RNA)
where:
Base-Base interactions energy: -1842.217
where: short stacking energy: -749.787
Base-Backbone interact. energy: -1.186
local terms energy: -750.541365
where:
bonds (distance) C4'-P energy: -133.961
bonds (distance) P-C4' energy: -133.418
flat angles C4'-P-C4' energy: -160.130
flat angles P-C4'-P energy: -101.895
tors. eta vs tors. theta energy: -221.137
Dist. restrs. and SS energy: 16.295 (S_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: 35
Temperature: 0.950000
Total energy: -2526.487199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.487199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.718549 (E_RNA)
where:
Base-Base interactions energy: -1802.030
where: short stacking energy: -743.533
Base-Backbone interact. energy: -0.602
local terms energy: -734.086511
where:
bonds (distance) C4'-P energy: -133.199
bonds (distance) P-C4' energy: -127.279
flat angles C4'-P-C4' energy: -153.364
flat angles P-C4'-P energy: -94.515
tors. eta vs tors. theta energy: -225.729
Dist. restrs. and SS energy: 10.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2479.138552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.138552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.576724 (E_RNA)
where:
Base-Base interactions energy: -1746.416
where: short stacking energy: -737.098
Base-Backbone interact. energy: -0.429
local terms energy: -743.731227
where:
bonds (distance) C4'-P energy: -127.793
bonds (distance) P-C4' energy: -135.700
flat angles C4'-P-C4' energy: -152.389
flat angles P-C4'-P energy: -109.910
tors. eta vs tors. theta energy: -217.938
Dist. restrs. and SS energy: 11.438 (S_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: 35
Temperature: 1.050000
Total energy: -2277.813607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.813607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.585646 (E_RNA)
where:
Base-Base interactions energy: -1604.532
where: short stacking energy: -658.748
Base-Backbone interact. energy: -1.300
local terms energy: -687.753301
where:
bonds (distance) C4'-P energy: -129.749
bonds (distance) P-C4' energy: -119.858
flat angles C4'-P-C4' energy: -138.224
flat angles P-C4'-P energy: -104.899
tors. eta vs tors. theta energy: -195.024
Dist. restrs. and SS energy: 15.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2212.980794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.980794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.906470 (E_RNA)
where:
Base-Base interactions energy: -1551.942
where: short stacking energy: -628.388
Base-Backbone interact. energy: -2.380
local terms energy: -678.584938
where:
bonds (distance) C4'-P energy: -139.461
bonds (distance) P-C4' energy: -132.025
flat angles C4'-P-C4' energy: -130.339
flat angles P-C4'-P energy: -91.656
tors. eta vs tors. theta energy: -185.104
Dist. restrs. and SS energy: 19.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2176.443041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.443041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.779835 (E_RNA)
where:
Base-Base interactions energy: -1569.524
where: short stacking energy: -621.148
Base-Backbone interact. energy: -3.291
local terms energy: -617.965172
where:
bonds (distance) C4'-P energy: -88.212
bonds (distance) P-C4' energy: -119.211
flat angles C4'-P-C4' energy: -140.182
flat angles P-C4'-P energy: -84.837
tors. eta vs tors. theta energy: -185.522
Dist. restrs. and SS energy: 14.337 (S_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: -2076.055673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.055673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.241872 (E_RNA)
where:
Base-Base interactions energy: -1438.053
where: short stacking energy: -592.418
Base-Backbone interact. energy: -1.713
local terms energy: -652.475707
where:
bonds (distance) C4'-P energy: -130.009
bonds (distance) P-C4' energy: -120.320
flat angles C4'-P-C4' energy: -138.898
flat angles P-C4'-P energy: -94.813
tors. eta vs tors. theta energy: -168.435
Dist. restrs. and SS energy: 16.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -2105.624132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.624132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.889424 (E_RNA)
where:
Base-Base interactions energy: -1469.265
where: short stacking energy: -588.840
Base-Backbone interact. energy: -3.939
local terms energy: -651.685277
where:
bonds (distance) C4'-P energy: -120.337
bonds (distance) P-C4' energy: -123.720
flat angles C4'-P-C4' energy: -123.723
flat angles P-C4'-P energy: -97.549
tors. eta vs tors. theta energy: -186.355
Dist. restrs. and SS energy: 19.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1883.840788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.840788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.222646 (E_RNA)
where:
Base-Base interactions energy: -1336.584
where: short stacking energy: -523.997
Base-Backbone interact. energy: -2.738
local terms energy: -574.900356
where:
bonds (distance) C4'-P energy: -93.935
bonds (distance) P-C4' energy: -112.548
flat angles C4'-P-C4' energy: -127.269
flat angles P-C4'-P energy: -89.517
tors. eta vs tors. theta energy: -151.632
Dist. restrs. and SS energy: 30.382 (S_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: 35
Temperature: 1.350000
Total energy: -1680.740411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.740411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.218341 (E_RNA)
where:
Base-Base interactions energy: -1196.647
where: short stacking energy: -465.083
Base-Backbone interact. energy: 2.838
local terms energy: -514.409031
where:
bonds (distance) C4'-P energy: -106.832
bonds (distance) P-C4' energy: -98.728
flat angles C4'-P-C4' energy: -108.224
flat angles P-C4'-P energy: -74.822
tors. eta vs tors. theta energy: -125.803
Dist. restrs. and SS energy: 27.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2608.193640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.193640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.015459 (E_RNA)
where:
Base-Base interactions energy: -1854.526
where: short stacking energy: -742.324
Base-Backbone interact. energy: -3.142
local terms energy: -766.347990
where:
bonds (distance) C4'-P energy: -129.528
bonds (distance) P-C4' energy: -133.752
flat angles C4'-P-C4' energy: -156.243
flat angles P-C4'-P energy: -123.225
tors. eta vs tors. theta energy: -223.599
Dist. restrs. and SS energy: 15.822 (S_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: 36
Temperature: 0.950000
Total energy: -2507.672464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.672464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.871669 (E_RNA)
where:
Base-Base interactions energy: -1752.800
where: short stacking energy: -741.062
Base-Backbone interact. energy: -0.509
local terms energy: -772.562497
where:
bonds (distance) C4'-P energy: -144.531
bonds (distance) P-C4' energy: -141.615
flat angles C4'-P-C4' energy: -156.629
flat angles P-C4'-P energy: -103.750
tors. eta vs tors. theta energy: -226.037
Dist. restrs. and SS energy: 18.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2474.736473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.736473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.856700 (E_RNA)
where:
Base-Base interactions energy: -1763.565
where: short stacking energy: -730.229
Base-Backbone interact. energy: -1.316
local terms energy: -721.975993
where:
bonds (distance) C4'-P energy: -135.592
bonds (distance) P-C4' energy: -130.473
flat angles C4'-P-C4' energy: -139.369
flat angles P-C4'-P energy: -94.385
tors. eta vs tors. theta energy: -222.157
Dist. restrs. and SS energy: 12.120 (S_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: 36
Temperature: 1.050000
Total energy: -2316.914565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.914565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.501875 (E_RNA)
where:
Base-Base interactions energy: -1645.419
where: short stacking energy: -677.660
Base-Backbone interact. energy: -2.095
local terms energy: -687.987346
where:
bonds (distance) C4'-P energy: -122.974
bonds (distance) P-C4' energy: -123.156
flat angles C4'-P-C4' energy: -143.773
flat angles P-C4'-P energy: -101.779
tors. eta vs tors. theta energy: -196.305
Dist. restrs. and SS energy: 18.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2298.957118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.957118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.479855 (E_RNA)
where:
Base-Base interactions energy: -1602.871
where: short stacking energy: -657.024
Base-Backbone interact. energy: -0.924
local terms energy: -706.684524
where:
bonds (distance) C4'-P energy: -130.111
bonds (distance) P-C4' energy: -128.503
flat angles C4'-P-C4' energy: -148.334
flat angles P-C4'-P energy: -101.698
tors. eta vs tors. theta energy: -198.039
Dist. restrs. and SS energy: 11.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2159.101849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.101849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.407708 (E_RNA)
where:
Base-Base interactions energy: -1531.587
where: short stacking energy: -614.202
Base-Backbone interact. energy: -1.682
local terms energy: -644.138925
where:
bonds (distance) C4'-P energy: -126.821
bonds (distance) P-C4' energy: -102.495
flat angles C4'-P-C4' energy: -143.706
flat angles P-C4'-P energy: -90.872
tors. eta vs tors. theta energy: -180.245
Dist. restrs. and SS energy: 18.306 (S_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: 36
Temperature: 1.200000
Total energy: -2095.345977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.345977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.762233 (E_RNA)
where:
Base-Base interactions energy: -1481.041
where: short stacking energy: -594.312
Base-Backbone interact. energy: 4.375
local terms energy: -634.096835
where:
bonds (distance) C4'-P energy: -118.880
bonds (distance) P-C4' energy: -115.123
flat angles C4'-P-C4' energy: -135.145
flat angles P-C4'-P energy: -87.163
tors. eta vs tors. theta energy: -177.786
Dist. restrs. and SS energy: 15.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1995.207269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.207269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.338607 (E_RNA)
where:
Base-Base interactions energy: -1425.110
where: short stacking energy: -560.781
Base-Backbone interact. energy: -1.910
local terms energy: -588.317900
where:
bonds (distance) C4'-P energy: -116.044
bonds (distance) P-C4' energy: -89.378
flat angles C4'-P-C4' energy: -144.395
flat angles P-C4'-P energy: -77.236
tors. eta vs tors. theta energy: -161.265
Dist. restrs. and SS energy: 20.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1734.007915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.007915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.049409 (E_RNA)
where:
Base-Base interactions energy: -1216.939
where: short stacking energy: -468.573
Base-Backbone interact. energy: -1.552
local terms energy: -548.558337
where:
bonds (distance) C4'-P energy: -109.968
bonds (distance) P-C4' energy: -121.866
flat angles C4'-P-C4' energy: -115.307
flat angles P-C4'-P energy: -79.159
tors. eta vs tors. theta energy: -122.259
Dist. restrs. and SS energy: 33.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1830.701934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.701934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.524436 (E_RNA)
where:
Base-Base interactions energy: -1301.855
where: short stacking energy: -524.133
Base-Backbone interact. energy: -1.676
local terms energy: -559.992922
where:
bonds (distance) C4'-P energy: -128.548
bonds (distance) P-C4' energy: -90.550
flat angles C4'-P-C4' energy: -117.797
flat angles P-C4'-P energy: -71.723
tors. eta vs tors. theta energy: -151.375
Dist. restrs. and SS energy: 32.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2576.894467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.894467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.251309 (E_RNA)
where:
Base-Base interactions energy: -1833.389
where: short stacking energy: -714.439
Base-Backbone interact. energy: -2.367
local terms energy: -756.495272
where:
bonds (distance) C4'-P energy: -127.718
bonds (distance) P-C4' energy: -152.277
flat angles C4'-P-C4' energy: -158.242
flat angles P-C4'-P energy: -100.807
tors. eta vs tors. theta energy: -217.451
Dist. restrs. and SS energy: 15.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2553.044202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.044202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.050195 (E_RNA)
where:
Base-Base interactions energy: -1782.483
where: short stacking energy: -750.080
Base-Backbone interact. energy: -1.903
local terms energy: -781.663545
where:
bonds (distance) C4'-P energy: -141.624
bonds (distance) P-C4' energy: -142.595
flat angles C4'-P-C4' energy: -157.411
flat angles P-C4'-P energy: -108.427
tors. eta vs tors. theta energy: -231.608
Dist. restrs. and SS energy: 13.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2479.742881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.742881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.172709 (E_RNA)
where:
Base-Base interactions energy: -1751.532
where: short stacking energy: -726.227
Base-Backbone interact. energy: -1.663
local terms energy: -739.977979
where:
bonds (distance) C4'-P energy: -128.260
bonds (distance) P-C4' energy: -131.288
flat angles C4'-P-C4' energy: -167.361
flat angles P-C4'-P energy: -93.960
tors. eta vs tors. theta energy: -219.110
Dist. restrs. and SS energy: 13.430 (S_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: 37
Temperature: 1.050000
Total energy: -2314.710484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.710484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.466281 (E_RNA)
where:
Base-Base interactions energy: -1655.066
where: short stacking energy: -658.148
Base-Backbone interact. energy: 2.229
local terms energy: -671.628991
where:
bonds (distance) C4'-P energy: -126.400
bonds (distance) P-C4' energy: -138.430
flat angles C4'-P-C4' energy: -140.732
flat angles P-C4'-P energy: -77.405
tors. eta vs tors. theta energy: -188.663
Dist. restrs. and SS energy: 9.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2288.106485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.106485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.338915 (E_RNA)
where:
Base-Base interactions energy: -1633.201
where: short stacking energy: -664.883
Base-Backbone interact. energy: 0.629
local terms energy: -669.767231
where:
bonds (distance) C4'-P energy: -129.291
bonds (distance) P-C4' energy: -126.363
flat angles C4'-P-C4' energy: -141.694
flat angles P-C4'-P energy: -83.433
tors. eta vs tors. theta energy: -188.986
Dist. restrs. and SS energy: 14.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2162.975547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.975547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.926104 (E_RNA)
where:
Base-Base interactions energy: -1486.479
where: short stacking energy: -607.509
Base-Backbone interact. energy: -2.970
local terms energy: -699.476934
where:
bonds (distance) C4'-P energy: -112.074
bonds (distance) P-C4' energy: -144.376
flat angles C4'-P-C4' energy: -141.293
flat angles P-C4'-P energy: -116.003
tors. eta vs tors. theta energy: -185.731
Dist. restrs. and SS energy: 25.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2065.903266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.903266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.256698 (E_RNA)
where:
Base-Base interactions energy: -1448.736
where: short stacking energy: -597.190
Base-Backbone interact. energy: -3.113
local terms energy: -643.407888
where:
bonds (distance) C4'-P energy: -119.229
bonds (distance) P-C4' energy: -117.619
flat angles C4'-P-C4' energy: -131.020
flat angles P-C4'-P energy: -87.263
tors. eta vs tors. theta energy: -188.276
Dist. restrs. and SS energy: 29.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1995.134582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.134582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.388859 (E_RNA)
where:
Base-Base interactions energy: -1429.081
where: short stacking energy: -564.515
Base-Backbone interact. energy: -2.201
local terms energy: -589.107092
where:
bonds (distance) C4'-P energy: -106.621
bonds (distance) P-C4' energy: -97.573
flat angles C4'-P-C4' energy: -130.582
flat angles P-C4'-P energy: -75.428
tors. eta vs tors. theta energy: -178.903
Dist. restrs. and SS energy: 25.254 (S_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: 37
Temperature: 1.300000
Total energy: -1777.044931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.044931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.679241 (E_RNA)
where:
Base-Base interactions energy: -1251.990
where: short stacking energy: -502.042
Base-Backbone interact. energy: -0.407
local terms energy: -570.282317
where:
bonds (distance) C4'-P energy: -112.989
bonds (distance) P-C4' energy: -107.698
flat angles C4'-P-C4' energy: -139.138
flat angles P-C4'-P energy: -72.444
tors. eta vs tors. theta energy: -138.013
Dist. restrs. and SS energy: 45.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1797.521742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.521742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.356212 (E_RNA)
where:
Base-Base interactions energy: -1304.839
where: short stacking energy: -501.856
Base-Backbone interact. energy: -1.438
local terms energy: -527.079064
where:
bonds (distance) C4'-P energy: -99.813
bonds (distance) P-C4' energy: -97.252
flat angles C4'-P-C4' energy: -115.277
flat angles P-C4'-P energy: -67.705
tors. eta vs tors. theta energy: -147.033
Dist. restrs. and SS energy: 35.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2610.240071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.240071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.181095 (E_RNA)
where:
Base-Base interactions energy: -1869.200
where: short stacking energy: -748.881
Base-Backbone interact. energy: -0.201
local terms energy: -752.780234
where:
bonds (distance) C4'-P energy: -145.044
bonds (distance) P-C4' energy: -133.759
flat angles C4'-P-C4' energy: -152.011
flat angles P-C4'-P energy: -106.605
tors. eta vs tors. theta energy: -215.362
Dist. restrs. and SS energy: 11.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2566.910423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.910423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.588945 (E_RNA)
where:
Base-Base interactions energy: -1829.849
where: short stacking energy: -758.529
Base-Backbone interact. energy: -1.472
local terms energy: -749.268710
where:
bonds (distance) C4'-P energy: -120.470
bonds (distance) P-C4' energy: -145.464
flat angles C4'-P-C4' energy: -154.225
flat angles P-C4'-P energy: -99.488
tors. eta vs tors. theta energy: -229.622
Dist. restrs. and SS energy: 13.679 (S_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: 38
Temperature: 1.000000
Total energy: -2477.570031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.570031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.496141 (E_RNA)
where:
Base-Base interactions energy: -1754.447
where: short stacking energy: -729.133
Base-Backbone interact. energy: -1.445
local terms energy: -729.604808
where:
bonds (distance) C4'-P energy: -145.962
bonds (distance) P-C4' energy: -129.902
flat angles C4'-P-C4' energy: -154.906
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -211.457
Dist. restrs. and SS energy: 7.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2314.180870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.180870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.341538 (E_RNA)
where:
Base-Base interactions energy: -1648.576
where: short stacking energy: -687.713
Base-Backbone interact. energy: 0.551
local terms energy: -677.316132
where:
bonds (distance) C4'-P energy: -139.952
bonds (distance) P-C4' energy: -112.566
flat angles C4'-P-C4' energy: -137.486
flat angles P-C4'-P energy: -91.145
tors. eta vs tors. theta energy: -196.167
Dist. restrs. and SS energy: 11.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2324.728431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.728431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.269462 (E_RNA)
where:
Base-Base interactions energy: -1667.973
where: short stacking energy: -679.330
Base-Backbone interact. energy: -1.461
local terms energy: -670.835589
where:
bonds (distance) C4'-P energy: -119.138
bonds (distance) P-C4' energy: -148.128
flat angles C4'-P-C4' energy: -142.301
flat angles P-C4'-P energy: -74.267
tors. eta vs tors. theta energy: -187.002
Dist. restrs. and SS energy: 15.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2222.359589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.359589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.162035 (E_RNA)
where:
Base-Base interactions energy: -1575.415
where: short stacking energy: -643.657
Base-Backbone interact. energy: -1.345
local terms energy: -658.401766
where:
bonds (distance) C4'-P energy: -119.439
bonds (distance) P-C4' energy: -120.492
flat angles C4'-P-C4' energy: -138.561
flat angles P-C4'-P energy: -80.782
tors. eta vs tors. theta energy: -199.128
Dist. restrs. and SS energy: 12.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2068.581943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.581943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.660664 (E_RNA)
where:
Base-Base interactions energy: -1475.981
where: short stacking energy: -585.674
Base-Backbone interact. energy: 0.546
local terms energy: -610.225403
where:
bonds (distance) C4'-P energy: -119.297
bonds (distance) P-C4' energy: -120.705
flat angles C4'-P-C4' energy: -138.102
flat angles P-C4'-P energy: -68.039
tors. eta vs tors. theta energy: -164.083
Dist. restrs. and SS energy: 17.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1960.787938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.787938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.531364 (E_RNA)
where:
Base-Base interactions energy: -1377.781
where: short stacking energy: -554.178
Base-Backbone interact. energy: -2.253
local terms energy: -611.496944
where:
bonds (distance) C4'-P energy: -103.598
bonds (distance) P-C4' energy: -125.345
flat angles C4'-P-C4' energy: -130.956
flat angles P-C4'-P energy: -81.670
tors. eta vs tors. theta energy: -169.928
Dist. restrs. and SS energy: 30.743 (S_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: 38
Temperature: 1.300000
Total energy: -1882.750368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.750368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.714706 (E_RNA)
where:
Base-Base interactions energy: -1321.676
where: short stacking energy: -534.100
Base-Backbone interact. energy: -1.907
local terms energy: -590.131920
where:
bonds (distance) C4'-P energy: -123.508
bonds (distance) P-C4' energy: -118.336
flat angles C4'-P-C4' energy: -113.246
flat angles P-C4'-P energy: -85.948
tors. eta vs tors. theta energy: -149.094
Dist. restrs. and SS energy: 30.964 (S_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: 38
Temperature: 1.350000
Total energy: -1697.429928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.429928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.834828 (E_RNA)
where:
Base-Base interactions energy: -1178.690
where: short stacking energy: -475.182
Base-Backbone interact. energy: 2.339
local terms energy: -555.483585
where:
bonds (distance) C4'-P energy: -102.824
bonds (distance) P-C4' energy: -115.890
flat angles C4'-P-C4' energy: -127.587
flat angles P-C4'-P energy: -63.338
tors. eta vs tors. theta energy: -145.845
Dist. restrs. and SS energy: 34.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2598.941555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.941555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.151922 (E_RNA)
where:
Base-Base interactions energy: -1821.915
where: short stacking energy: -734.506
Base-Backbone interact. energy: -3.562
local terms energy: -784.675564
where:
bonds (distance) C4'-P energy: -136.536
bonds (distance) P-C4' energy: -150.185
flat angles C4'-P-C4' energy: -160.954
flat angles P-C4'-P energy: -115.714
tors. eta vs tors. theta energy: -221.286
Dist. restrs. and SS energy: 11.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2525.974631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.974631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.349346 (E_RNA)
where:
Base-Base interactions energy: -1780.912
where: short stacking energy: -724.655
Base-Backbone interact. energy: -1.268
local terms energy: -758.168769
where:
bonds (distance) C4'-P energy: -140.221
bonds (distance) P-C4' energy: -140.464
flat angles C4'-P-C4' energy: -159.613
flat angles P-C4'-P energy: -104.012
tors. eta vs tors. theta energy: -213.860
Dist. restrs. and SS energy: 14.375 (S_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: 39
Temperature: 1.000000
Total energy: -2470.237828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.237828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.853505 (E_RNA)
where:
Base-Base interactions energy: -1770.344
where: short stacking energy: -740.377
Base-Backbone interact. energy: 2.048
local terms energy: -714.557364
where:
bonds (distance) C4'-P energy: -122.255
bonds (distance) P-C4' energy: -130.450
flat angles C4'-P-C4' energy: -150.583
flat angles P-C4'-P energy: -94.684
tors. eta vs tors. theta energy: -216.585
Dist. restrs. and SS energy: 12.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2377.218784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.218784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.768061 (E_RNA)
where:
Base-Base interactions energy: -1680.247
where: short stacking energy: -693.198
Base-Backbone interact. energy: -2.526
local terms energy: -709.994831
where:
bonds (distance) C4'-P energy: -129.107
bonds (distance) P-C4' energy: -121.531
flat angles C4'-P-C4' energy: -149.710
flat angles P-C4'-P energy: -93.718
tors. eta vs tors. theta energy: -215.928
Dist. restrs. and SS energy: 15.549 (S_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: 39
Temperature: 1.100000
Total energy: -2298.945532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.945532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.077036 (E_RNA)
where:
Base-Base interactions energy: -1621.298
where: short stacking energy: -665.792
Base-Backbone interact. energy: 3.653
local terms energy: -693.432300
where:
bonds (distance) C4'-P energy: -117.316
bonds (distance) P-C4' energy: -137.952
flat angles C4'-P-C4' energy: -155.018
flat angles P-C4'-P energy: -89.243
tors. eta vs tors. theta energy: -193.903
Dist. restrs. and SS energy: 12.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2214.884451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.884451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.152413 (E_RNA)
where:
Base-Base interactions energy: -1578.419
where: short stacking energy: -645.022
Base-Backbone interact. energy: -2.169
local terms energy: -645.563629
where:
bonds (distance) C4'-P energy: -112.504
bonds (distance) P-C4' energy: -125.145
flat angles C4'-P-C4' energy: -124.515
flat angles P-C4'-P energy: -87.223
tors. eta vs tors. theta energy: -196.177
Dist. restrs. and SS energy: 11.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2084.461207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.461207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.576837 (E_RNA)
where:
Base-Base interactions energy: -1483.873
where: short stacking energy: -610.379
Base-Backbone interact. energy: -2.292
local terms energy: -626.411042
where:
bonds (distance) C4'-P energy: -121.306
bonds (distance) P-C4' energy: -119.749
flat angles C4'-P-C4' energy: -128.513
flat angles P-C4'-P energy: -74.936
tors. eta vs tors. theta energy: -181.907
Dist. restrs. and SS energy: 28.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2008.331661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.331661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.574383 (E_RNA)
where:
Base-Base interactions energy: -1404.524
where: short stacking energy: -568.695
Base-Backbone interact. energy: 0.762
local terms energy: -633.812806
where:
bonds (distance) C4'-P energy: -117.194
bonds (distance) P-C4' energy: -122.139
flat angles C4'-P-C4' energy: -138.441
flat angles P-C4'-P energy: -76.157
tors. eta vs tors. theta energy: -179.883
Dist. restrs. and SS energy: 29.243 (S_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: 39
Temperature: 1.300000
Total energy: -1858.068146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.068146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.360963 (E_RNA)
where:
Base-Base interactions energy: -1298.947
where: short stacking energy: -528.345
Base-Backbone interact. energy: 1.248
local terms energy: -598.661333
where:
bonds (distance) C4'-P energy: -112.112
bonds (distance) P-C4' energy: -115.886
flat angles C4'-P-C4' energy: -130.434
flat angles P-C4'-P energy: -74.536
tors. eta vs tors. theta energy: -165.693
Dist. restrs. and SS energy: 38.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1699.113421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.113421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.892040 (E_RNA)
where:
Base-Base interactions energy: -1206.116
where: short stacking energy: -510.841
Base-Backbone interact. energy: -2.299
local terms energy: -529.477556
where:
bonds (distance) C4'-P energy: -87.197
bonds (distance) P-C4' energy: -125.794
flat angles C4'-P-C4' energy: -97.973
flat angles P-C4'-P energy: -69.720
tors. eta vs tors. theta energy: -148.794
Dist. restrs. and SS energy: 38.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2595.654735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.654735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.788085 (E_RNA)
where:
Base-Base interactions energy: -1812.001
where: short stacking energy: -743.848
Base-Backbone interact. energy: -1.280
local terms energy: -795.506952
where:
bonds (distance) C4'-P energy: -149.673
bonds (distance) P-C4' energy: -138.461
flat angles C4'-P-C4' energy: -165.024
flat angles P-C4'-P energy: -117.341
tors. eta vs tors. theta energy: -225.008
Dist. restrs. and SS energy: 13.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2536.717498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.717498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.309600 (E_RNA)
where:
Base-Base interactions energy: -1813.237
where: short stacking energy: -723.970
Base-Backbone interact. energy: -4.609
local terms energy: -728.464340
where:
bonds (distance) C4'-P energy: -134.911
bonds (distance) P-C4' energy: -123.742
flat angles C4'-P-C4' energy: -141.807
flat angles P-C4'-P energy: -108.873
tors. eta vs tors. theta energy: -219.132
Dist. restrs. and SS energy: 9.592 (S_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: 40
Temperature: 1.000000
Total energy: -2494.721038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.721038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.812493 (E_RNA)
where:
Base-Base interactions energy: -1770.194
where: short stacking energy: -718.765
Base-Backbone interact. energy: -1.842
local terms energy: -737.776180
where:
bonds (distance) C4'-P energy: -130.948
bonds (distance) P-C4' energy: -129.039
flat angles C4'-P-C4' energy: -158.109
flat angles P-C4'-P energy: -106.968
tors. eta vs tors. theta energy: -212.712
Dist. restrs. and SS energy: 15.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2396.304177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.304177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.248261 (E_RNA)
where:
Base-Base interactions energy: -1700.949
where: short stacking energy: -709.521
Base-Backbone interact. energy: -1.996
local terms energy: -705.303826
where:
bonds (distance) C4'-P energy: -131.020
bonds (distance) P-C4' energy: -132.184
flat angles C4'-P-C4' energy: -151.386
flat angles P-C4'-P energy: -85.244
tors. eta vs tors. theta energy: -205.470
Dist. restrs. and SS energy: 11.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2325.391708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.391708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.807159 (E_RNA)
where:
Base-Base interactions energy: -1644.869
where: short stacking energy: -696.177
Base-Backbone interact. energy: -1.030
local terms energy: -691.908023
where:
bonds (distance) C4'-P energy: -124.166
bonds (distance) P-C4' energy: -121.840
flat angles C4'-P-C4' energy: -149.853
flat angles P-C4'-P energy: -91.420
tors. eta vs tors. theta energy: -204.629
Dist. restrs. and SS energy: 12.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2178.278217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.278217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.513857 (E_RNA)
where:
Base-Base interactions energy: -1534.398
where: short stacking energy: -616.290
Base-Backbone interact. energy: -3.858
local terms energy: -651.257782
where:
bonds (distance) C4'-P energy: -123.496
bonds (distance) P-C4' energy: -116.713
flat angles C4'-P-C4' energy: -134.642
flat angles P-C4'-P energy: -95.518
tors. eta vs tors. theta energy: -180.889
Dist. restrs. and SS energy: 11.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2105.958178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.958178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.091242 (E_RNA)
where:
Base-Base interactions energy: -1470.415
where: short stacking energy: -619.397
Base-Backbone interact. energy: 0.138
local terms energy: -657.813816
where:
bonds (distance) C4'-P energy: -122.890
bonds (distance) P-C4' energy: -106.203
flat angles C4'-P-C4' energy: -141.191
flat angles P-C4'-P energy: -100.383
tors. eta vs tors. theta energy: -187.146
Dist. restrs. and SS energy: 22.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1985.710304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.710304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.642112 (E_RNA)
where:
Base-Base interactions energy: -1425.906
where: short stacking energy: -569.542
Base-Backbone interact. energy: -1.249
local terms energy: -585.486451
where:
bonds (distance) C4'-P energy: -100.177
bonds (distance) P-C4' energy: -114.484
flat angles C4'-P-C4' energy: -129.238
flat angles P-C4'-P energy: -69.822
tors. eta vs tors. theta energy: -171.765
Dist. restrs. and SS energy: 26.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1842.551427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.551427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.009904 (E_RNA)
where:
Base-Base interactions energy: -1313.182
where: short stacking energy: -536.470
Base-Backbone interact. energy: -1.834
local terms energy: -557.994509
where:
bonds (distance) C4'-P energy: -111.982
bonds (distance) P-C4' energy: -98.144
flat angles C4'-P-C4' energy: -109.365
flat angles P-C4'-P energy: -81.232
tors. eta vs tors. theta energy: -157.271
Dist. restrs. and SS energy: 30.458 (S_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: 40
Temperature: 1.350000
Total energy: -1705.222429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.222429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.515190 (E_RNA)
where:
Base-Base interactions energy: -1210.781
where: short stacking energy: -462.635
Base-Backbone interact. energy: -0.730
local terms energy: -523.004762
where:
bonds (distance) C4'-P energy: -88.008
bonds (distance) P-C4' energy: -104.868
flat angles C4'-P-C4' energy: -119.423
flat angles P-C4'-P energy: -66.011
tors. eta vs tors. theta energy: -144.696
Dist. restrs. and SS energy: 29.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2595.656239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.656239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.530547 (E_RNA)
where:
Base-Base interactions energy: -1856.108
where: short stacking energy: -750.255
Base-Backbone interact. energy: -1.977
local terms energy: -754.444842
where:
bonds (distance) C4'-P energy: -145.125
bonds (distance) P-C4' energy: -120.840
flat angles C4'-P-C4' energy: -159.011
flat angles P-C4'-P energy: -102.797
tors. eta vs tors. theta energy: -226.671
Dist. restrs. and SS energy: 16.874 (S_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: 41
Temperature: 0.950000
Total energy: -2543.927785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.927785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.002207 (E_RNA)
where:
Base-Base interactions energy: -1798.519
where: short stacking energy: -742.638
Base-Backbone interact. energy: -4.442
local terms energy: -749.041745
where:
bonds (distance) C4'-P energy: -135.742
bonds (distance) P-C4' energy: -131.398
flat angles C4'-P-C4' energy: -167.019
flat angles P-C4'-P energy: -95.527
tors. eta vs tors. theta energy: -219.354
Dist. restrs. and SS energy: 8.074 (S_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: 41
Temperature: 1.000000
Total energy: -2496.819938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.819938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.958871 (E_RNA)
where:
Base-Base interactions energy: -1746.783
where: short stacking energy: -706.172
Base-Backbone interact. energy: -0.965
local terms energy: -764.211818
where:
bonds (distance) C4'-P energy: -134.636
bonds (distance) P-C4' energy: -143.428
flat angles C4'-P-C4' energy: -161.242
flat angles P-C4'-P energy: -103.590
tors. eta vs tors. theta energy: -221.316
Dist. restrs. and SS energy: 15.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2395.604967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.604967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.751459 (E_RNA)
where:
Base-Base interactions energy: -1661.264
where: short stacking energy: -688.778
Base-Backbone interact. energy: -1.522
local terms energy: -743.965805
where:
bonds (distance) C4'-P energy: -141.429
bonds (distance) P-C4' energy: -142.814
flat angles C4'-P-C4' energy: -150.222
flat angles P-C4'-P energy: -99.331
tors. eta vs tors. theta energy: -210.170
Dist. restrs. and SS energy: 11.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2319.283656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.283656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.103074 (E_RNA)
where:
Base-Base interactions energy: -1664.201
where: short stacking energy: -667.893
Base-Backbone interact. energy: -0.397
local terms energy: -668.505160
where:
bonds (distance) C4'-P energy: -106.049
bonds (distance) P-C4' energy: -124.665
flat angles C4'-P-C4' energy: -144.401
flat angles P-C4'-P energy: -92.394
tors. eta vs tors. theta energy: -200.995
Dist. restrs. and SS energy: 13.819 (S_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: 41
Temperature: 1.150000
Total energy: -2159.209168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.209168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.884302 (E_RNA)
where:
Base-Base interactions energy: -1574.473
where: short stacking energy: -612.160
Base-Backbone interact. energy: -2.948
local terms energy: -588.463088
where:
bonds (distance) C4'-P energy: -115.958
bonds (distance) P-C4' energy: -103.010
flat angles C4'-P-C4' energy: -134.285
flat angles P-C4'-P energy: -64.473
tors. eta vs tors. theta energy: -170.738
Dist. restrs. and SS energy: 6.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2061.109902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.109902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.388726 (E_RNA)
where:
Base-Base interactions energy: -1466.115
where: short stacking energy: -567.614
Base-Backbone interact. energy: -0.293
local terms energy: -614.980607
where:
bonds (distance) C4'-P energy: -122.813
bonds (distance) P-C4' energy: -109.421
flat angles C4'-P-C4' energy: -134.333
flat angles P-C4'-P energy: -86.899
tors. eta vs tors. theta energy: -161.514
Dist. restrs. and SS energy: 20.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -2052.994382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.994382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.864522 (E_RNA)
where:
Base-Base interactions energy: -1434.947
where: short stacking energy: -594.428
Base-Backbone interact. energy: 3.451
local terms energy: -645.368923
where:
bonds (distance) C4'-P energy: -124.927
bonds (distance) P-C4' energy: -110.263
flat angles C4'-P-C4' energy: -143.663
flat angles P-C4'-P energy: -82.274
tors. eta vs tors. theta energy: -184.241
Dist. restrs. and SS energy: 23.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1927.869007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.869007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.798526 (E_RNA)
where:
Base-Base interactions energy: -1381.483
where: short stacking energy: -542.353
Base-Backbone interact. energy: -1.736
local terms energy: -571.579205
where:
bonds (distance) C4'-P energy: -91.748
bonds (distance) P-C4' energy: -112.198
flat angles C4'-P-C4' energy: -119.317
flat angles P-C4'-P energy: -84.666
tors. eta vs tors. theta energy: -163.649
Dist. restrs. and SS energy: 26.930 (S_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: 41
Temperature: 1.350000
Total energy: -1733.783310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.783310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.158997 (E_RNA)
where:
Base-Base interactions energy: -1234.352
where: short stacking energy: -491.697
Base-Backbone interact. energy: 2.002
local terms energy: -538.808616
where:
bonds (distance) C4'-P energy: -81.892
bonds (distance) P-C4' energy: -120.166
flat angles C4'-P-C4' energy: -105.304
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: -155.133
Dist. restrs. and SS energy: 37.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2642.622282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.622282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.067467 (E_RNA)
where:
Base-Base interactions energy: -1866.301
where: short stacking energy: -786.022
Base-Backbone interact. energy: -2.801
local terms energy: -787.965440
where:
bonds (distance) C4'-P energy: -137.534
bonds (distance) P-C4' energy: -142.094
flat angles C4'-P-C4' energy: -166.884
flat angles P-C4'-P energy: -110.202
tors. eta vs tors. theta energy: -231.251
Dist. restrs. and SS energy: 14.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2551.443889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.443889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.905022 (E_RNA)
where:
Base-Base interactions energy: -1804.624
where: short stacking energy: -734.038
Base-Backbone interact. energy: -1.286
local terms energy: -754.995570
where:
bonds (distance) C4'-P energy: -137.459
bonds (distance) P-C4' energy: -145.911
flat angles C4'-P-C4' energy: -152.824
flat angles P-C4'-P energy: -100.135
tors. eta vs tors. theta energy: -218.667
Dist. restrs. and SS energy: 9.461 (S_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: 42
Temperature: 1.000000
Total energy: -2491.539380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.539380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.459160 (E_RNA)
where:
Base-Base interactions energy: -1731.185
where: short stacking energy: -719.344
Base-Backbone interact. energy: 0.401
local terms energy: -772.675580
where:
bonds (distance) C4'-P energy: -138.253
bonds (distance) P-C4' energy: -135.924
flat angles C4'-P-C4' energy: -156.727
flat angles P-C4'-P energy: -116.103
tors. eta vs tors. theta energy: -225.668
Dist. restrs. and SS energy: 11.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2367.620141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.620141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.569339 (E_RNA)
where:
Base-Base interactions energy: -1679.287
where: short stacking energy: -682.928
Base-Backbone interact. energy: -1.170
local terms energy: -700.112472
where:
bonds (distance) C4'-P energy: -125.263
bonds (distance) P-C4' energy: -121.706
flat angles C4'-P-C4' energy: -140.989
flat angles P-C4'-P energy: -103.848
tors. eta vs tors. theta energy: -208.307
Dist. restrs. and SS energy: 12.949 (S_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: -2258.599446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.599446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.776193 (E_RNA)
where:
Base-Base interactions energy: -1620.136
where: short stacking energy: -665.515
Base-Backbone interact. energy: -1.847
local terms energy: -660.793421
where:
bonds (distance) C4'-P energy: -115.500
bonds (distance) P-C4' energy: -114.230
flat angles C4'-P-C4' energy: -158.069
flat angles P-C4'-P energy: -78.332
tors. eta vs tors. theta energy: -194.663
Dist. restrs. and SS energy: 24.177 (S_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: 42
Temperature: 1.150000
Total energy: -2142.416600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.416600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.432135 (E_RNA)
where:
Base-Base interactions energy: -1546.977
where: short stacking energy: -613.481
Base-Backbone interact. energy: 3.378
local terms energy: -619.832818
where:
bonds (distance) C4'-P energy: -112.092
bonds (distance) P-C4' energy: -119.586
flat angles C4'-P-C4' energy: -124.558
flat angles P-C4'-P energy: -79.170
tors. eta vs tors. theta energy: -184.427
Dist. restrs. and SS energy: 21.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2080.640338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.640338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.277735 (E_RNA)
where:
Base-Base interactions energy: -1485.142
where: short stacking energy: -623.466
Base-Backbone interact. energy: 0.041
local terms energy: -628.177372
where:
bonds (distance) C4'-P energy: -120.158
bonds (distance) P-C4' energy: -115.571
flat angles C4'-P-C4' energy: -126.206
flat angles P-C4'-P energy: -77.546
tors. eta vs tors. theta energy: -188.697
Dist. restrs. and SS energy: 32.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1977.313515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.313515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.993577 (E_RNA)
where:
Base-Base interactions energy: -1393.396
where: short stacking energy: -563.873
Base-Backbone interact. energy: -1.203
local terms energy: -606.394177
where:
bonds (distance) C4'-P energy: -107.655
bonds (distance) P-C4' energy: -120.287
flat angles C4'-P-C4' energy: -126.539
flat angles P-C4'-P energy: -77.767
tors. eta vs tors. theta energy: -174.145
Dist. restrs. and SS energy: 23.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1942.527576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.527576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.975900 (E_RNA)
where:
Base-Base interactions energy: -1377.797
where: short stacking energy: -536.964
Base-Backbone interact. energy: -2.617
local terms energy: -582.562535
where:
bonds (distance) C4'-P energy: -96.375
bonds (distance) P-C4' energy: -112.290
flat angles C4'-P-C4' energy: -126.997
flat angles P-C4'-P energy: -83.231
tors. eta vs tors. theta energy: -163.670
Dist. restrs. and SS energy: 20.448 (S_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: 42
Temperature: 1.350000
Total energy: -1675.375369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.375369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.517494 (E_RNA)
where:
Base-Base interactions energy: -1188.067
where: short stacking energy: -487.721
Base-Backbone interact. energy: -3.030
local terms energy: -533.421418
where:
bonds (distance) C4'-P energy: -109.446
bonds (distance) P-C4' energy: -94.402
flat angles C4'-P-C4' energy: -109.487
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -149.439
Dist. restrs. and SS energy: 49.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2643.305929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.305929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.932027 (E_RNA)
where:
Base-Base interactions energy: -1866.220
where: short stacking energy: -773.695
Base-Backbone interact. energy: 0.358
local terms energy: -786.069837
where:
bonds (distance) C4'-P energy: -141.338
bonds (distance) P-C4' energy: -137.754
flat angles C4'-P-C4' energy: -164.379
flat angles P-C4'-P energy: -113.639
tors. eta vs tors. theta energy: -228.960
Dist. restrs. and SS energy: 8.626 (S_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: 43
Temperature: 0.950000
Total energy: -2581.498345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.498345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.779012 (E_RNA)
where:
Base-Base interactions energy: -1816.100
where: short stacking energy: -729.383
Base-Backbone interact. energy: -1.685
local terms energy: -777.993938
where:
bonds (distance) C4'-P energy: -130.903
bonds (distance) P-C4' energy: -146.780
flat angles C4'-P-C4' energy: -155.487
flat angles P-C4'-P energy: -117.200
tors. eta vs tors. theta energy: -227.625
Dist. restrs. and SS energy: 14.281 (S_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: 43
Temperature: 1.000000
Total energy: -2488.920697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.920697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.172682 (E_RNA)
where:
Base-Base interactions energy: -1761.428
where: short stacking energy: -713.000
Base-Backbone interact. energy: -3.473
local terms energy: -739.272040
where:
bonds (distance) C4'-P energy: -141.333
bonds (distance) P-C4' energy: -142.668
flat angles C4'-P-C4' energy: -144.035
flat angles P-C4'-P energy: -96.001
tors. eta vs tors. theta energy: -215.235
Dist. restrs. and SS energy: 15.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2381.095906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.095906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.091630 (E_RNA)
where:
Base-Base interactions energy: -1674.918
where: short stacking energy: -683.282
Base-Backbone interact. energy: -1.539
local terms energy: -716.635082
where:
bonds (distance) C4'-P energy: -131.992
bonds (distance) P-C4' energy: -122.177
flat angles C4'-P-C4' energy: -159.289
flat angles P-C4'-P energy: -92.074
tors. eta vs tors. theta energy: -211.104
Dist. restrs. and SS energy: 11.996 (S_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: -2320.721920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.721920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.582310 (E_RNA)
where:
Base-Base interactions energy: -1617.438
where: short stacking energy: -671.577
Base-Backbone interact. energy: -0.900
local terms energy: -719.244240
where:
bonds (distance) C4'-P energy: -132.575
bonds (distance) P-C4' energy: -131.594
flat angles C4'-P-C4' energy: -154.599
flat angles P-C4'-P energy: -87.268
tors. eta vs tors. theta energy: -213.208
Dist. restrs. and SS energy: 16.860 (S_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: 43
Temperature: 1.150000
Total energy: -2200.741167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.741167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.326510 (E_RNA)
where:
Base-Base interactions energy: -1571.152
where: short stacking energy: -635.940
Base-Backbone interact. energy: -0.204
local terms energy: -638.970380
where:
bonds (distance) C4'-P energy: -117.619
bonds (distance) P-C4' energy: -126.281
flat angles C4'-P-C4' energy: -139.307
flat angles P-C4'-P energy: -73.109
tors. eta vs tors. theta energy: -182.654
Dist. restrs. and SS energy: 9.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2075.924436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.924436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.033646 (E_RNA)
where:
Base-Base interactions energy: -1468.624
where: short stacking energy: -612.139
Base-Backbone interact. energy: 1.369
local terms energy: -636.778232
where:
bonds (distance) C4'-P energy: -131.847
bonds (distance) P-C4' energy: -104.043
flat angles C4'-P-C4' energy: -135.643
flat angles P-C4'-P energy: -78.042
tors. eta vs tors. theta energy: -187.204
Dist. restrs. and SS energy: 28.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2011.905544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.905544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.989285 (E_RNA)
where:
Base-Base interactions energy: -1439.204
where: short stacking energy: -553.724
Base-Backbone interact. energy: 5.432
local terms energy: -596.216610
where:
bonds (distance) C4'-P energy: -107.359
bonds (distance) P-C4' energy: -107.686
flat angles C4'-P-C4' energy: -138.382
flat angles P-C4'-P energy: -88.224
tors. eta vs tors. theta energy: -154.565
Dist. restrs. and SS energy: 18.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1924.420141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.420141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.332370 (E_RNA)
where:
Base-Base interactions energy: -1363.165
where: short stacking energy: -550.940
Base-Backbone interact. energy: -0.643
local terms energy: -587.524320
where:
bonds (distance) C4'-P energy: -122.232
bonds (distance) P-C4' energy: -113.042
flat angles C4'-P-C4' energy: -122.428
flat angles P-C4'-P energy: -67.668
tors. eta vs tors. theta energy: -162.154
Dist. restrs. and SS energy: 26.912 (S_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: 43
Temperature: 1.350000
Total energy: -1705.484118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.484118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.904168 (E_RNA)
where:
Base-Base interactions energy: -1192.141
where: short stacking energy: -452.882
Base-Backbone interact. energy: 0.728
local terms energy: -557.490703
where:
bonds (distance) C4'-P energy: -112.329
bonds (distance) P-C4' energy: -121.061
flat angles C4'-P-C4' energy: -119.558
flat angles P-C4'-P energy: -71.496
tors. eta vs tors. theta energy: -133.046
Dist. restrs. and SS energy: 43.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2627.244715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.244715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.327704 (E_RNA)
where:
Base-Base interactions energy: -1842.352
where: short stacking energy: -780.337
Base-Backbone interact. energy: -2.997
local terms energy: -794.978259
where:
bonds (distance) C4'-P energy: -145.150
bonds (distance) P-C4' energy: -132.118
flat angles C4'-P-C4' energy: -168.994
flat angles P-C4'-P energy: -115.569
tors. eta vs tors. theta energy: -233.148
Dist. restrs. and SS energy: 13.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2549.285679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.285679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.116238 (E_RNA)
where:
Base-Base interactions energy: -1786.027
where: short stacking energy: -760.821
Base-Backbone interact. energy: -1.414
local terms energy: -770.675206
where:
bonds (distance) C4'-P energy: -124.504
bonds (distance) P-C4' energy: -140.209
flat angles C4'-P-C4' energy: -163.241
flat angles P-C4'-P energy: -115.388
tors. eta vs tors. theta energy: -227.334
Dist. restrs. and SS energy: 8.831 (S_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: 44
Temperature: 1.000000
Total energy: -2486.366180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.366180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.550026 (E_RNA)
where:
Base-Base interactions energy: -1792.077
where: short stacking energy: -710.606
Base-Backbone interact. energy: -2.702
local terms energy: -703.771110
where:
bonds (distance) C4'-P energy: -122.579
bonds (distance) P-C4' energy: -128.499
flat angles C4'-P-C4' energy: -144.797
flat angles P-C4'-P energy: -95.703
tors. eta vs tors. theta energy: -212.193
Dist. restrs. and SS energy: 12.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2430.277996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.277996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.258637 (E_RNA)
where:
Base-Base interactions energy: -1703.203
where: short stacking energy: -700.125
Base-Backbone interact. energy: 0.557
local terms energy: -739.613111
where:
bonds (distance) C4'-P energy: -128.173
bonds (distance) P-C4' energy: -130.280
flat angles C4'-P-C4' energy: -162.631
flat angles P-C4'-P energy: -103.544
tors. eta vs tors. theta energy: -214.984
Dist. restrs. and SS energy: 11.981 (S_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: -2366.222484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.222484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.046618 (E_RNA)
where:
Base-Base interactions energy: -1685.769
where: short stacking energy: -684.564
Base-Backbone interact. energy: -0.988
local terms energy: -689.289564
where:
bonds (distance) C4'-P energy: -115.034
bonds (distance) P-C4' energy: -118.553
flat angles C4'-P-C4' energy: -141.514
flat angles P-C4'-P energy: -107.231
tors. eta vs tors. theta energy: -206.957
Dist. restrs. and SS energy: 9.824 (S_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: 44
Temperature: 1.150000
Total energy: -2166.082650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.082650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.641786 (E_RNA)
where:
Base-Base interactions energy: -1552.610
where: short stacking energy: -621.533
Base-Backbone interact. energy: -0.368
local terms energy: -630.664184
where:
bonds (distance) C4'-P energy: -130.409
bonds (distance) P-C4' energy: -109.021
flat angles C4'-P-C4' energy: -131.835
flat angles P-C4'-P energy: -81.935
tors. eta vs tors. theta energy: -177.464
Dist. restrs. and SS energy: 17.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2076.247587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.247587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.142567 (E_RNA)
where:
Base-Base interactions energy: -1460.966
where: short stacking energy: -578.971
Base-Backbone interact. energy: -2.006
local terms energy: -628.171220
where:
bonds (distance) C4'-P energy: -127.063
bonds (distance) P-C4' energy: -90.982
flat angles C4'-P-C4' energy: -144.064
flat angles P-C4'-P energy: -84.117
tors. eta vs tors. theta energy: -181.946
Dist. restrs. and SS energy: 14.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2014.279535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.279535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.737986 (E_RNA)
where:
Base-Base interactions energy: -1430.840
where: short stacking energy: -572.676
Base-Backbone interact. energy: -1.218
local terms energy: -604.680355
where:
bonds (distance) C4'-P energy: -92.499
bonds (distance) P-C4' energy: -123.127
flat angles C4'-P-C4' energy: -149.880
flat angles P-C4'-P energy: -68.864
tors. eta vs tors. theta energy: -170.311
Dist. restrs. and SS energy: 22.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1936.871066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.871066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.234109 (E_RNA)
where:
Base-Base interactions energy: -1377.932
where: short stacking energy: -550.126
Base-Backbone interact. energy: -2.191
local terms energy: -586.111882
where:
bonds (distance) C4'-P energy: -85.765
bonds (distance) P-C4' energy: -114.915
flat angles C4'-P-C4' energy: -136.328
flat angles P-C4'-P energy: -82.311
tors. eta vs tors. theta energy: -166.793
Dist. restrs. and SS energy: 29.363 (S_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: 44
Temperature: 1.350000
Total energy: -1727.323110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.323110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.657507 (E_RNA)
where:
Base-Base interactions energy: -1218.925
where: short stacking energy: -502.258
Base-Backbone interact. energy: -1.998
local terms energy: -545.734355
where:
bonds (distance) C4'-P energy: -113.246
bonds (distance) P-C4' energy: -113.641
flat angles C4'-P-C4' energy: -129.628
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -137.849
Dist. restrs. and SS energy: 39.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2663.698349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.698349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.653368 (E_RNA)
where:
Base-Base interactions energy: -1888.491
where: short stacking energy: -763.718
Base-Backbone interact. energy: -2.356
local terms energy: -784.806877
where:
bonds (distance) C4'-P energy: -127.166
bonds (distance) P-C4' energy: -134.081
flat angles C4'-P-C4' energy: -165.949
flat angles P-C4'-P energy: -126.240
tors. eta vs tors. theta energy: -231.371
Dist. restrs. and SS energy: 11.955 (S_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: 45
Temperature: 0.950000
Total energy: -2542.979777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.979777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.514505 (E_RNA)
where:
Base-Base interactions energy: -1781.028
where: short stacking energy: -754.960
Base-Backbone interact. energy: 0.043
local terms energy: -771.529906
where:
bonds (distance) C4'-P energy: -134.242
bonds (distance) P-C4' energy: -148.133
flat angles C4'-P-C4' energy: -154.026
flat angles P-C4'-P energy: -110.911
tors. eta vs tors. theta energy: -224.217
Dist. restrs. and SS energy: 9.535 (S_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: 45
Temperature: 1.000000
Total energy: -2479.499471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.499471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.378998 (E_RNA)
where:
Base-Base interactions energy: -1787.481
where: short stacking energy: -698.962
Base-Backbone interact. energy: -2.600
local terms energy: -703.297650
where:
bonds (distance) C4'-P energy: -125.172
bonds (distance) P-C4' energy: -129.666
flat angles C4'-P-C4' energy: -138.919
flat angles P-C4'-P energy: -100.044
tors. eta vs tors. theta energy: -209.498
Dist. restrs. and SS energy: 13.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2431.242191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.242191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.893644 (E_RNA)
where:
Base-Base interactions energy: -1706.612
where: short stacking energy: -715.594
Base-Backbone interact. energy: 2.149
local terms energy: -737.430288
where:
bonds (distance) C4'-P energy: -112.058
bonds (distance) P-C4' energy: -141.629
flat angles C4'-P-C4' energy: -156.875
flat angles P-C4'-P energy: -113.839
tors. eta vs tors. theta energy: -213.029
Dist. restrs. and SS energy: 10.651 (S_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: -2342.788522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.788522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.567706 (E_RNA)
where:
Base-Base interactions energy: -1665.804
where: short stacking energy: -674.904
Base-Backbone interact. energy: -1.686
local terms energy: -687.077423
where:
bonds (distance) C4'-P energy: -119.740
bonds (distance) P-C4' energy: -128.944
flat angles C4'-P-C4' energy: -151.491
flat angles P-C4'-P energy: -82.478
tors. eta vs tors. theta energy: -204.424
Dist. restrs. and SS energy: 11.779 (S_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: 45
Temperature: 1.150000
Total energy: -2209.127351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.127351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.319885 (E_RNA)
where:
Base-Base interactions energy: -1539.617
where: short stacking energy: -623.596
Base-Backbone interact. energy: -4.675
local terms energy: -692.027491
where:
bonds (distance) C4'-P energy: -119.357
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -160.992
flat angles P-C4'-P energy: -96.247
tors. eta vs tors. theta energy: -189.159
Dist. restrs. and SS energy: 27.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2089.588221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.588221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.896855 (E_RNA)
where:
Base-Base interactions energy: -1484.507
where: short stacking energy: -614.503
Base-Backbone interact. energy: 3.683
local terms energy: -632.072912
where:
bonds (distance) C4'-P energy: -101.342
bonds (distance) P-C4' energy: -113.082
flat angles C4'-P-C4' energy: -146.051
flat angles P-C4'-P energy: -84.626
tors. eta vs tors. theta energy: -186.973
Dist. restrs. and SS energy: 23.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2048.346357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.346357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.979204 (E_RNA)
where:
Base-Base interactions energy: -1462.507
where: short stacking energy: -582.335
Base-Backbone interact. energy: 0.415
local terms energy: -614.887938
where:
bonds (distance) C4'-P energy: -111.500
bonds (distance) P-C4' energy: -109.727
flat angles C4'-P-C4' energy: -137.398
flat angles P-C4'-P energy: -83.126
tors. eta vs tors. theta energy: -173.137
Dist. restrs. and SS energy: 28.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1973.098213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.098213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.632473 (E_RNA)
where:
Base-Base interactions energy: -1402.346
where: short stacking energy: -574.341
Base-Backbone interact. energy: 2.673
local terms energy: -597.959696
where:
bonds (distance) C4'-P energy: -115.690
bonds (distance) P-C4' energy: -103.582
flat angles C4'-P-C4' energy: -150.779
flat angles P-C4'-P energy: -70.802
tors. eta vs tors. theta energy: -157.106
Dist. restrs. and SS energy: 24.534 (S_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: 45
Temperature: 1.350000
Total energy: -1764.769062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.769062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.977541 (E_RNA)
where:
Base-Base interactions energy: -1246.019
where: short stacking energy: -523.014
Base-Backbone interact. energy: 1.566
local terms energy: -561.524380
where:
bonds (distance) C4'-P energy: -118.650
bonds (distance) P-C4' energy: -104.103
flat angles C4'-P-C4' energy: -130.664
flat angles P-C4'-P energy: -71.492
tors. eta vs tors. theta energy: -136.616
Dist. restrs. and SS energy: 41.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2650.050801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.050801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.013100 (E_RNA)
where:
Base-Base interactions energy: -1871.274
where: short stacking energy: -778.664
Base-Backbone interact. energy: -3.438
local terms energy: -788.301456
where:
bonds (distance) C4'-P energy: -135.208
bonds (distance) P-C4' energy: -132.899
flat angles C4'-P-C4' energy: -165.193
flat angles P-C4'-P energy: -116.007
tors. eta vs tors. theta energy: -238.994
Dist. restrs. and SS energy: 12.962 (S_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: 46
Temperature: 0.950000
Total energy: -2559.929909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.929909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.274422 (E_RNA)
where:
Base-Base interactions energy: -1827.942
where: short stacking energy: -750.983
Base-Backbone interact. energy: -3.412
local terms energy: -739.920752
where:
bonds (distance) C4'-P energy: -123.576
bonds (distance) P-C4' energy: -131.420
flat angles C4'-P-C4' energy: -150.869
flat angles P-C4'-P energy: -110.151
tors. eta vs tors. theta energy: -223.904
Dist. restrs. and SS energy: 11.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2487.064164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.064164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.368138 (E_RNA)
where:
Base-Base interactions energy: -1754.991
where: short stacking energy: -728.597
Base-Backbone interact. energy: -2.095
local terms energy: -737.282377
where:
bonds (distance) C4'-P energy: -148.064
bonds (distance) P-C4' energy: -104.897
flat angles C4'-P-C4' energy: -156.394
flat angles P-C4'-P energy: -102.307
tors. eta vs tors. theta energy: -225.620
Dist. restrs. and SS energy: 7.304 (S_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: 46
Temperature: 1.050000
Total energy: -2411.888389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.888389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.562716 (E_RNA)
where:
Base-Base interactions energy: -1732.922
where: short stacking energy: -704.442
Base-Backbone interact. energy: -3.669
local terms energy: -690.971655
where:
bonds (distance) C4'-P energy: -121.396
bonds (distance) P-C4' energy: -130.298
flat angles C4'-P-C4' energy: -143.143
flat angles P-C4'-P energy: -93.530
tors. eta vs tors. theta energy: -202.606
Dist. restrs. and SS energy: 15.674 (S_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: -2352.227487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.227487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.045694 (E_RNA)
where:
Base-Base interactions energy: -1665.259
where: short stacking energy: -697.328
Base-Backbone interact. energy: 1.563
local terms energy: -704.349708
where:
bonds (distance) C4'-P energy: -115.831
bonds (distance) P-C4' energy: -139.008
flat angles C4'-P-C4' energy: -141.278
flat angles P-C4'-P energy: -99.083
tors. eta vs tors. theta energy: -209.149
Dist. restrs. and SS energy: 15.818 (S_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: 46
Temperature: 1.150000
Total energy: -2271.227183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.227183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.255441 (E_RNA)
where:
Base-Base interactions energy: -1601.773
where: short stacking energy: -654.968
Base-Backbone interact. energy: -0.637
local terms energy: -679.845381
where:
bonds (distance) C4'-P energy: -118.732
bonds (distance) P-C4' energy: -115.145
flat angles C4'-P-C4' energy: -136.716
flat angles P-C4'-P energy: -108.925
tors. eta vs tors. theta energy: -200.326
Dist. restrs. and SS energy: 11.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2079.597155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.597155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.587566 (E_RNA)
where:
Base-Base interactions energy: -1470.808
where: short stacking energy: -595.138
Base-Backbone interact. energy: -0.319
local terms energy: -631.461051
where:
bonds (distance) C4'-P energy: -123.010
bonds (distance) P-C4' energy: -123.688
flat angles C4'-P-C4' energy: -123.460
flat angles P-C4'-P energy: -82.033
tors. eta vs tors. theta energy: -179.270
Dist. restrs. and SS energy: 22.990 (S_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: 46
Temperature: 1.250000
Total energy: -2018.055479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.055479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.153816 (E_RNA)
where:
Base-Base interactions energy: -1422.188
where: short stacking energy: -584.596
Base-Backbone interact. energy: -3.856
local terms energy: -615.109908
where:
bonds (distance) C4'-P energy: -123.501
bonds (distance) P-C4' energy: -102.793
flat angles C4'-P-C4' energy: -133.694
flat angles P-C4'-P energy: -82.073
tors. eta vs tors. theta energy: -173.048
Dist. restrs. and SS energy: 23.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1922.508717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.508717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.548041 (E_RNA)
where:
Base-Base interactions energy: -1333.198
where: short stacking energy: -532.741
Base-Backbone interact. energy: -0.523
local terms energy: -620.827327
where:
bonds (distance) C4'-P energy: -111.647
bonds (distance) P-C4' energy: -130.912
flat angles C4'-P-C4' energy: -125.213
flat angles P-C4'-P energy: -85.421
tors. eta vs tors. theta energy: -167.634
Dist. restrs. and SS energy: 32.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1798.595867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.595867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.461424 (E_RNA)
where:
Base-Base interactions energy: -1287.892
where: short stacking energy: -511.344
Base-Backbone interact. energy: -2.096
local terms energy: -537.473237
where:
bonds (distance) C4'-P energy: -108.588
bonds (distance) P-C4' energy: -103.352
flat angles C4'-P-C4' energy: -112.527
flat angles P-C4'-P energy: -72.641
tors. eta vs tors. theta energy: -140.365
Dist. restrs. and SS energy: 28.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2630.828948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.828948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.809025 (E_RNA)
where:
Base-Base interactions energy: -1856.637
where: short stacking energy: -773.643
Base-Backbone interact. energy: -2.674
local terms energy: -785.498434
where:
bonds (distance) C4'-P energy: -149.130
bonds (distance) P-C4' energy: -140.543
flat angles C4'-P-C4' energy: -165.825
flat angles P-C4'-P energy: -98.201
tors. eta vs tors. theta energy: -231.799
Dist. restrs. and SS energy: 13.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2530.705963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.705963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.049415 (E_RNA)
where:
Base-Base interactions energy: -1771.445
where: short stacking energy: -736.831
Base-Backbone interact. energy: -1.262
local terms energy: -765.342366
where:
bonds (distance) C4'-P energy: -127.885
bonds (distance) P-C4' energy: -138.286
flat angles C4'-P-C4' energy: -161.710
flat angles P-C4'-P energy: -113.195
tors. eta vs tors. theta energy: -224.266
Dist. restrs. and SS energy: 7.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2501.772256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.772256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.789102 (E_RNA)
where:
Base-Base interactions energy: -1770.291
where: short stacking energy: -754.685
Base-Backbone interact. energy: 0.751
local terms energy: -746.248844
where:
bonds (distance) C4'-P energy: -130.674
bonds (distance) P-C4' energy: -128.172
flat angles C4'-P-C4' energy: -140.873
flat angles P-C4'-P energy: -114.225
tors. eta vs tors. theta energy: -232.306
Dist. restrs. and SS energy: 14.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2429.305037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.305037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.011844 (E_RNA)
where:
Base-Base interactions energy: -1713.178
where: short stacking energy: -691.872
Base-Backbone interact. energy: -1.206
local terms energy: -723.628029
where:
bonds (distance) C4'-P energy: -132.302
bonds (distance) P-C4' energy: -117.367
flat angles C4'-P-C4' energy: -152.308
flat angles P-C4'-P energy: -105.829
tors. eta vs tors. theta energy: -215.823
Dist. restrs. and SS energy: 8.707 (S_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: -2314.614290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.614290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.039637 (E_RNA)
where:
Base-Base interactions energy: -1640.272
where: short stacking energy: -713.039
Base-Backbone interact. energy: -1.340
local terms energy: -685.427343
where:
bonds (distance) C4'-P energy: -120.099
bonds (distance) P-C4' energy: -124.342
flat angles C4'-P-C4' energy: -140.755
flat angles P-C4'-P energy: -95.434
tors. eta vs tors. theta energy: -204.797
Dist. restrs. and SS energy: 12.425 (S_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: 47
Temperature: 1.150000
Total energy: -2228.605009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.605009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.593473 (E_RNA)
where:
Base-Base interactions energy: -1568.525
where: short stacking energy: -610.800
Base-Backbone interact. energy: -3.100
local terms energy: -667.969200
where:
bonds (distance) C4'-P energy: -118.057
bonds (distance) P-C4' energy: -125.379
flat angles C4'-P-C4' energy: -139.035
flat angles P-C4'-P energy: -97.687
tors. eta vs tors. theta energy: -187.812
Dist. restrs. and SS energy: 10.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2086.106636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.106636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.104686 (E_RNA)
where:
Base-Base interactions energy: -1459.975
where: short stacking energy: -593.181
Base-Backbone interact. energy: -0.094
local terms energy: -656.035613
where:
bonds (distance) C4'-P energy: -117.028
bonds (distance) P-C4' energy: -117.858
flat angles C4'-P-C4' energy: -150.346
flat angles P-C4'-P energy: -89.441
tors. eta vs tors. theta energy: -181.363
Dist. restrs. and SS energy: 29.998 (S_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: 47
Temperature: 1.250000
Total energy: -1977.010628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.010628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.693816 (E_RNA)
where:
Base-Base interactions energy: -1356.360
where: short stacking energy: -552.271
Base-Backbone interact. energy: -2.894
local terms energy: -638.439098
where:
bonds (distance) C4'-P energy: -124.296
bonds (distance) P-C4' energy: -124.575
flat angles C4'-P-C4' energy: -136.343
flat angles P-C4'-P energy: -97.426
tors. eta vs tors. theta energy: -155.799
Dist. restrs. and SS energy: 20.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -2010.471738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.471738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.807574 (E_RNA)
where:
Base-Base interactions energy: -1434.275
where: short stacking energy: -589.460
Base-Backbone interact. energy: -1.565
local terms energy: -598.967223
where:
bonds (distance) C4'-P energy: -101.580
bonds (distance) P-C4' energy: -104.313
flat angles C4'-P-C4' energy: -126.236
flat angles P-C4'-P energy: -81.244
tors. eta vs tors. theta energy: -185.595
Dist. restrs. and SS energy: 24.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1807.453677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.453677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.232533 (E_RNA)
where:
Base-Base interactions energy: -1250.230
where: short stacking energy: -488.892
Base-Backbone interact. energy: -1.875
local terms energy: -580.127466
where:
bonds (distance) C4'-P energy: -95.459
bonds (distance) P-C4' energy: -106.664
flat angles C4'-P-C4' energy: -138.429
flat angles P-C4'-P energy: -80.723
tors. eta vs tors. theta energy: -158.852
Dist. restrs. and SS energy: 24.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2626.178128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.178128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.944669 (E_RNA)
where:
Base-Base interactions energy: -1860.604
where: short stacking energy: -756.783
Base-Backbone interact. energy: -1.312
local terms energy: -780.027954
where:
bonds (distance) C4'-P energy: -143.091
bonds (distance) P-C4' energy: -134.586
flat angles C4'-P-C4' energy: -167.853
flat angles P-C4'-P energy: -109.537
tors. eta vs tors. theta energy: -224.960
Dist. restrs. and SS energy: 15.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2515.435787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.435787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.423653 (E_RNA)
where:
Base-Base interactions energy: -1780.362
where: short stacking energy: -739.001
Base-Backbone interact. energy: -2.506
local terms energy: -739.555724
where:
bonds (distance) C4'-P energy: -120.753
bonds (distance) P-C4' energy: -137.004
flat angles C4'-P-C4' energy: -149.188
flat angles P-C4'-P energy: -117.944
tors. eta vs tors. theta energy: -214.666
Dist. restrs. and SS energy: 6.988 (S_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: 48
Temperature: 1.000000
Total energy: -2483.199258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.199258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.697900 (E_RNA)
where:
Base-Base interactions energy: -1751.877
where: short stacking energy: -714.376
Base-Backbone interact. energy: 1.124
local terms energy: -742.945453
where:
bonds (distance) C4'-P energy: -147.181
bonds (distance) P-C4' energy: -135.319
flat angles C4'-P-C4' energy: -149.566
flat angles P-C4'-P energy: -93.614
tors. eta vs tors. theta energy: -217.266
Dist. restrs. and SS energy: 10.499 (S_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: 48
Temperature: 1.050000
Total energy: -2438.319642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.305621 (E_RNA)
where:
Base-Base interactions energy: -1750.975
where: short stacking energy: -698.380
Base-Backbone interact. energy: -3.894
local terms energy: -695.436764
where:
bonds (distance) C4'-P energy: -139.052
bonds (distance) P-C4' energy: -116.701
flat angles C4'-P-C4' energy: -142.232
flat angles P-C4'-P energy: -88.823
tors. eta vs tors. theta energy: -208.628
Dist. restrs. and SS energy: 11.986 (S_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: -2314.250804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.250804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.546356 (E_RNA)
where:
Base-Base interactions energy: -1630.298
where: short stacking energy: -689.032
Base-Backbone interact. energy: -4.106
local terms energy: -704.141646
where:
bonds (distance) C4'-P energy: -136.378
bonds (distance) P-C4' energy: -117.654
flat angles C4'-P-C4' energy: -151.830
flat angles P-C4'-P energy: -85.955
tors. eta vs tors. theta energy: -212.325
Dist. restrs. and SS energy: 24.296 (S_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: 48
Temperature: 1.150000
Total energy: -2222.160805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.160805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.121766 (E_RNA)
where:
Base-Base interactions energy: -1564.163
where: short stacking energy: -640.412
Base-Backbone interact. energy: 6.577
local terms energy: -675.536116
where:
bonds (distance) C4'-P energy: -124.679
bonds (distance) P-C4' energy: -117.064
flat angles C4'-P-C4' energy: -153.183
flat angles P-C4'-P energy: -89.049
tors. eta vs tors. theta energy: -191.561
Dist. restrs. and SS energy: 10.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2088.472084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.472084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.205973 (E_RNA)
where:
Base-Base interactions energy: -1493.568
where: short stacking energy: -592.037
Base-Backbone interact. energy: -1.848
local terms energy: -615.790154
where:
bonds (distance) C4'-P energy: -106.329
bonds (distance) P-C4' energy: -115.797
flat angles C4'-P-C4' energy: -126.571
flat angles P-C4'-P energy: -82.850
tors. eta vs tors. theta energy: -184.244
Dist. restrs. and SS energy: 22.734 (S_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: 48
Temperature: 1.250000
Total energy: -2021.271696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.271696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.849820 (E_RNA)
where:
Base-Base interactions energy: -1433.007
where: short stacking energy: -591.486
Base-Backbone interact. energy: -2.031
local terms energy: -605.811277
where:
bonds (distance) C4'-P energy: -98.260
bonds (distance) P-C4' energy: -121.262
flat angles C4'-P-C4' energy: -129.010
flat angles P-C4'-P energy: -82.653
tors. eta vs tors. theta energy: -174.625
Dist. restrs. and SS energy: 19.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1985.637953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.637953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.390904 (E_RNA)
where:
Base-Base interactions energy: -1395.819
where: short stacking energy: -542.225
Base-Backbone interact. energy: -2.380
local terms energy: -609.192127
where:
bonds (distance) C4'-P energy: -136.027
bonds (distance) P-C4' energy: -102.940
flat angles C4'-P-C4' energy: -125.255
flat angles P-C4'-P energy: -79.039
tors. eta vs tors. theta energy: -165.932
Dist. restrs. and SS energy: 21.753 (S_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: 48
Temperature: 1.350000
Total energy: -1756.531855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.531855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.264489 (E_RNA)
where:
Base-Base interactions energy: -1252.230
where: short stacking energy: -509.032
Base-Backbone interact. energy: 0.369
local terms energy: -536.403952
where:
bonds (distance) C4'-P energy: -89.508
bonds (distance) P-C4' energy: -116.585
flat angles C4'-P-C4' energy: -119.461
flat angles P-C4'-P energy: -61.124
tors. eta vs tors. theta energy: -149.725
Dist. restrs. and SS energy: 31.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2666.257340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.257340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.979814 (E_RNA)
where:
Base-Base interactions energy: -1903.523
where: short stacking energy: -788.932
Base-Backbone interact. energy: 2.437
local terms energy: -785.893854
where:
bonds (distance) C4'-P energy: -147.733
bonds (distance) P-C4' energy: -136.290
flat angles C4'-P-C4' energy: -159.790
flat angles P-C4'-P energy: -113.450
tors. eta vs tors. theta energy: -228.630
Dist. restrs. and SS energy: 20.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2568.580063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.580063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.094469 (E_RNA)
where:
Base-Base interactions energy: -1824.071
where: short stacking energy: -768.888
Base-Backbone interact. energy: 0.318
local terms energy: -754.340817
where:
bonds (distance) C4'-P energy: -131.555
bonds (distance) P-C4' energy: -127.487
flat angles C4'-P-C4' energy: -159.465
flat angles P-C4'-P energy: -113.231
tors. eta vs tors. theta energy: -222.602
Dist. restrs. and SS energy: 9.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2523.841180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.841180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.265957 (E_RNA)
where:
Base-Base interactions energy: -1782.208
where: short stacking energy: -740.026
Base-Backbone interact. energy: 0.714
local terms energy: -753.772169
where:
bonds (distance) C4'-P energy: -137.924
bonds (distance) P-C4' energy: -131.261
flat angles C4'-P-C4' energy: -155.459
flat angles P-C4'-P energy: -104.357
tors. eta vs tors. theta energy: -224.771
Dist. restrs. and SS energy: 11.425 (S_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: 49
Temperature: 1.050000
Total energy: -2438.765483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.765483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.551832 (E_RNA)
where:
Base-Base interactions energy: -1761.237
where: short stacking energy: -711.025
Base-Backbone interact. energy: 2.988
local terms energy: -692.302894
where:
bonds (distance) C4'-P energy: -114.689
bonds (distance) P-C4' energy: -132.207
flat angles C4'-P-C4' energy: -137.255
flat angles P-C4'-P energy: -104.062
tors. eta vs tors. theta energy: -204.090
Dist. restrs. and SS energy: 11.786 (S_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: -2311.922278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.922278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.854938 (E_RNA)
where:
Base-Base interactions energy: -1609.443
where: short stacking energy: -671.112
Base-Backbone interact. energy: -0.870
local terms energy: -725.541495
where:
bonds (distance) C4'-P energy: -133.108
bonds (distance) P-C4' energy: -127.431
flat angles C4'-P-C4' energy: -158.616
flat angles P-C4'-P energy: -96.943
tors. eta vs tors. theta energy: -209.443
Dist. restrs. and SS energy: 23.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2270.148967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.148967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.872050 (E_RNA)
where:
Base-Base interactions energy: -1618.967
where: short stacking energy: -663.009
Base-Backbone interact. energy: -3.639
local terms energy: -664.266587
where:
bonds (distance) C4'-P energy: -110.928
bonds (distance) P-C4' energy: -115.874
flat angles C4'-P-C4' energy: -149.597
flat angles P-C4'-P energy: -91.877
tors. eta vs tors. theta energy: -195.991
Dist. restrs. and SS energy: 16.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2029.873733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.873733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.089333 (E_RNA)
where:
Base-Base interactions energy: -1457.156
where: short stacking energy: -587.379
Base-Backbone interact. energy: -3.222
local terms energy: -595.711372
where:
bonds (distance) C4'-P energy: -106.123
bonds (distance) P-C4' energy: -103.146
flat angles C4'-P-C4' energy: -125.927
flat angles P-C4'-P energy: -84.373
tors. eta vs tors. theta energy: -176.143
Dist. restrs. and SS energy: 26.216 (S_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: 49
Temperature: 1.250000
Total energy: -2006.499041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.499041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.296025 (E_RNA)
where:
Base-Base interactions energy: -1421.143
where: short stacking energy: -572.452
Base-Backbone interact. energy: -1.508
local terms energy: -602.645008
where:
bonds (distance) C4'-P energy: -98.836
bonds (distance) P-C4' energy: -117.748
flat angles C4'-P-C4' energy: -127.179
flat angles P-C4'-P energy: -84.106
tors. eta vs tors. theta energy: -174.776
Dist. restrs. and SS energy: 18.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1947.698774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.698774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.460110 (E_RNA)
where:
Base-Base interactions energy: -1401.080
where: short stacking energy: -558.491
Base-Backbone interact. energy: -0.205
local terms energy: -564.175340
where:
bonds (distance) C4'-P energy: -103.472
bonds (distance) P-C4' energy: -107.041
flat angles C4'-P-C4' energy: -125.426
flat angles P-C4'-P energy: -73.225
tors. eta vs tors. theta energy: -155.012
Dist. restrs. and SS energy: 17.761 (S_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: 49
Temperature: 1.350000
Total energy: -1825.791188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.791188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.825889 (E_RNA)
where:
Base-Base interactions energy: -1298.814
where: short stacking energy: -506.779
Base-Backbone interact. energy: -0.441
local terms energy: -562.571361
where:
bonds (distance) C4'-P energy: -105.258
bonds (distance) P-C4' energy: -114.315
flat angles C4'-P-C4' energy: -124.116
flat angles P-C4'-P energy: -58.746
tors. eta vs tors. theta energy: -160.137
Dist. restrs. and SS energy: 36.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2645.694960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.694960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.245341 (E_RNA)
where:
Base-Base interactions energy: -1873.772
where: short stacking energy: -763.036
Base-Backbone interact. energy: 0.374
local terms energy: -791.848135
where:
bonds (distance) C4'-P energy: -145.477
bonds (distance) P-C4' energy: -143.085
flat angles C4'-P-C4' energy: -166.714
flat angles P-C4'-P energy: -112.597
tors. eta vs tors. theta energy: -223.976
Dist. restrs. and SS energy: 19.550 (S_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: 50
Temperature: 0.950000
Total energy: -2595.448819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.448819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.547732 (E_RNA)
where:
Base-Base interactions energy: -1826.164
where: short stacking energy: -747.353
Base-Backbone interact. energy: -1.423
local terms energy: -776.960432
where:
bonds (distance) C4'-P energy: -127.294
bonds (distance) P-C4' energy: -137.059
flat angles C4'-P-C4' energy: -165.991
flat angles P-C4'-P energy: -123.690
tors. eta vs tors. theta energy: -222.927
Dist. restrs. and SS energy: 9.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2516.884930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.884930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.996534 (E_RNA)
where:
Base-Base interactions energy: -1760.108
where: short stacking energy: -721.342
Base-Backbone interact. energy: -0.355
local terms energy: -772.533076
where:
bonds (distance) C4'-P energy: -130.086
bonds (distance) P-C4' energy: -147.074
flat angles C4'-P-C4' energy: -157.171
flat angles P-C4'-P energy: -111.777
tors. eta vs tors. theta energy: -226.426
Dist. restrs. and SS energy: 16.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2425.414635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.414635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.028842 (E_RNA)
where:
Base-Base interactions energy: -1718.267
where: short stacking energy: -711.356
Base-Backbone interact. energy: -3.344
local terms energy: -715.417122
where:
bonds (distance) C4'-P energy: -143.473
bonds (distance) P-C4' energy: -118.350
flat angles C4'-P-C4' energy: -145.911
flat angles P-C4'-P energy: -90.305
tors. eta vs tors. theta energy: -217.378
Dist. restrs. and SS energy: 11.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2300.969838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.969838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.823010 (E_RNA)
where:
Base-Base interactions energy: -1641.454
where: short stacking energy: -690.125
Base-Backbone interact. energy: -1.521
local terms energy: -672.847518
where:
bonds (distance) C4'-P energy: -118.625
bonds (distance) P-C4' energy: -113.337
flat angles C4'-P-C4' energy: -141.761
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -216.253
Dist. restrs. and SS energy: 14.853 (S_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: 50
Temperature: 1.150000
Total energy: -2269.771751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.771751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.737017 (E_RNA)
where:
Base-Base interactions energy: -1620.727
where: short stacking energy: -676.138
Base-Backbone interact. energy: -1.709
local terms energy: -672.300835
where:
bonds (distance) C4'-P energy: -118.894
bonds (distance) P-C4' energy: -120.610
flat angles C4'-P-C4' energy: -144.677
flat angles P-C4'-P energy: -82.244
tors. eta vs tors. theta energy: -205.877
Dist. restrs. and SS energy: 24.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2099.717117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.717117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.625118 (E_RNA)
where:
Base-Base interactions energy: -1477.745
where: short stacking energy: -577.890
Base-Backbone interact. energy: -1.053
local terms energy: -633.826732
where:
bonds (distance) C4'-P energy: -112.146
bonds (distance) P-C4' energy: -123.131
flat angles C4'-P-C4' energy: -148.076
flat angles P-C4'-P energy: -78.471
tors. eta vs tors. theta energy: -172.003
Dist. restrs. and SS energy: 12.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -2015.391161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.391161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.829764 (E_RNA)
where:
Base-Base interactions energy: -1398.166
where: short stacking energy: -572.784
Base-Backbone interact. energy: -0.567
local terms energy: -634.097358
where:
bonds (distance) C4'-P energy: -114.791
bonds (distance) P-C4' energy: -105.387
flat angles C4'-P-C4' energy: -146.330
flat angles P-C4'-P energy: -88.944
tors. eta vs tors. theta energy: -178.645
Dist. restrs. and SS energy: 17.439 (S_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: 50
Temperature: 1.300000
Total energy: -2043.053407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.053407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.089331 (E_RNA)
where:
Base-Base interactions energy: -1470.796
where: short stacking energy: -576.674
Base-Backbone interact. energy: -2.856
local terms energy: -587.436866
where:
bonds (distance) C4'-P energy: -104.246
bonds (distance) P-C4' energy: -80.376
flat angles C4'-P-C4' energy: -134.185
flat angles P-C4'-P energy: -80.419
tors. eta vs tors. theta energy: -188.211
Dist. restrs. and SS energy: 18.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1806.880870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.880870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.376231 (E_RNA)
where:
Base-Base interactions energy: -1266.059
where: short stacking energy: -475.753
Base-Backbone interact. energy: 3.490
local terms energy: -573.807384
where:
bonds (distance) C4'-P energy: -123.708
bonds (distance) P-C4' energy: -111.199
flat angles C4'-P-C4' energy: -122.811
flat angles P-C4'-P energy: -68.751
tors. eta vs tors. theta energy: -147.338
Dist. restrs. and SS energy: 29.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2640.479237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.479237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.864942 (E_RNA)
where:
Base-Base interactions energy: -1854.173
where: short stacking energy: -770.904
Base-Backbone interact. energy: -1.761
local terms energy: -794.931245
where:
bonds (distance) C4'-P energy: -135.896
bonds (distance) P-C4' energy: -145.193
flat angles C4'-P-C4' energy: -170.219
flat angles P-C4'-P energy: -116.016
tors. eta vs tors. theta energy: -227.607
Dist. restrs. and SS energy: 10.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2604.826477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.826477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.622720 (E_RNA)
where:
Base-Base interactions energy: -1838.258
where: short stacking energy: -773.532
Base-Backbone interact. energy: -2.673
local terms energy: -775.691992
where:
bonds (distance) C4'-P energy: -141.876
bonds (distance) P-C4' energy: -132.558
flat angles C4'-P-C4' energy: -160.645
flat angles P-C4'-P energy: -106.479
tors. eta vs tors. theta energy: -234.135
Dist. restrs. and SS energy: 11.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2521.476406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.476406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.440821 (E_RNA)
where:
Base-Base interactions energy: -1788.510
where: short stacking energy: -722.819
Base-Backbone interact. energy: -0.488
local terms energy: -740.442497
where:
bonds (distance) C4'-P energy: -127.786
bonds (distance) P-C4' energy: -125.140
flat angles C4'-P-C4' energy: -158.100
flat angles P-C4'-P energy: -95.606
tors. eta vs tors. theta energy: -233.812
Dist. restrs. and SS energy: 7.964 (S_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: 51
Temperature: 1.050000
Total energy: -2440.380489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.380489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.942374 (E_RNA)
where:
Base-Base interactions energy: -1720.461
where: short stacking energy: -707.477
Base-Backbone interact. energy: -3.371
local terms energy: -729.109877
where:
bonds (distance) C4'-P energy: -130.710
bonds (distance) P-C4' energy: -135.121
flat angles C4'-P-C4' energy: -150.251
flat angles P-C4'-P energy: -97.052
tors. eta vs tors. theta energy: -215.976
Dist. restrs. and SS energy: 12.562 (S_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: 51
Temperature: 1.100000
Total energy: -2338.150309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.150309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.465991 (E_RNA)
where:
Base-Base interactions energy: -1655.366
where: short stacking energy: -661.406
Base-Backbone interact. energy: -1.151
local terms energy: -697.948697
where:
bonds (distance) C4'-P energy: -122.551
bonds (distance) P-C4' energy: -120.036
flat angles C4'-P-C4' energy: -146.890
flat angles P-C4'-P energy: -97.218
tors. eta vs tors. theta energy: -211.254
Dist. restrs. and SS energy: 16.316 (S_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: 51
Temperature: 1.150000
Total energy: -2267.598579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.598579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.016223 (E_RNA)
where:
Base-Base interactions energy: -1594.568
where: short stacking energy: -641.408
Base-Backbone interact. energy: -0.559
local terms energy: -693.888626
where:
bonds (distance) C4'-P energy: -127.619
bonds (distance) P-C4' energy: -116.721
flat angles C4'-P-C4' energy: -153.242
flat angles P-C4'-P energy: -93.108
tors. eta vs tors. theta energy: -203.199
Dist. restrs. and SS energy: 21.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2125.109371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.109371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.370857 (E_RNA)
where:
Base-Base interactions energy: -1508.736
where: short stacking energy: -606.076
Base-Backbone interact. energy: -1.144
local terms energy: -631.491001
where:
bonds (distance) C4'-P energy: -119.311
bonds (distance) P-C4' energy: -118.984
flat angles C4'-P-C4' energy: -135.985
flat angles P-C4'-P energy: -89.597
tors. eta vs tors. theta energy: -167.614
Dist. restrs. and SS energy: 16.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2112.894994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.894994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.363426 (E_RNA)
where:
Base-Base interactions energy: -1503.100
where: short stacking energy: -603.718
Base-Backbone interact. energy: -1.296
local terms energy: -624.967765
where:
bonds (distance) C4'-P energy: -121.067
bonds (distance) P-C4' energy: -89.491
flat angles C4'-P-C4' energy: -136.865
flat angles P-C4'-P energy: -85.042
tors. eta vs tors. theta energy: -192.503
Dist. restrs. and SS energy: 16.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1945.629007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.629007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.673334 (E_RNA)
where:
Base-Base interactions energy: -1343.969
where: short stacking energy: -550.901
Base-Backbone interact. energy: -2.634
local terms energy: -625.070125
where:
bonds (distance) C4'-P energy: -108.759
bonds (distance) P-C4' energy: -128.067
flat angles C4'-P-C4' energy: -134.201
flat angles P-C4'-P energy: -80.363
tors. eta vs tors. theta energy: -173.681
Dist. restrs. and SS energy: 26.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1796.228244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.228244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.486873 (E_RNA)
where:
Base-Base interactions energy: -1239.403
where: short stacking energy: -502.302
Base-Backbone interact. energy: 2.155
local terms energy: -594.239354
where:
bonds (distance) C4'-P energy: -119.315
bonds (distance) P-C4' energy: -140.297
flat angles C4'-P-C4' energy: -120.082
flat angles P-C4'-P energy: -64.635
tors. eta vs tors. theta energy: -149.910
Dist. restrs. and SS energy: 35.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2655.673774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.673774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.314770 (E_RNA)
where:
Base-Base interactions energy: -1869.717
where: short stacking energy: -765.544
Base-Backbone interact. energy: -2.681
local terms energy: -793.917502
where:
bonds (distance) C4'-P energy: -139.964
bonds (distance) P-C4' energy: -145.022
flat angles C4'-P-C4' energy: -166.984
flat angles P-C4'-P energy: -112.793
tors. eta vs tors. theta energy: -229.154
Dist. restrs. and SS energy: 10.641 (S_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: 52
Temperature: 0.950000
Total energy: -2602.837193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.837193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.422240 (E_RNA)
where:
Base-Base interactions energy: -1833.895
where: short stacking energy: -762.026
Base-Backbone interact. energy: -2.373
local terms energy: -778.154816
where:
bonds (distance) C4'-P energy: -146.490
bonds (distance) P-C4' energy: -142.020
flat angles C4'-P-C4' energy: -160.436
flat angles P-C4'-P energy: -101.893
tors. eta vs tors. theta energy: -227.317
Dist. restrs. and SS energy: 11.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2538.766323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.766323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.063801 (E_RNA)
where:
Base-Base interactions energy: -1807.131
where: short stacking energy: -722.759
Base-Backbone interact. energy: -2.864
local terms energy: -739.069230
where:
bonds (distance) C4'-P energy: -142.035
bonds (distance) P-C4' energy: -126.421
flat angles C4'-P-C4' energy: -161.290
flat angles P-C4'-P energy: -90.700
tors. eta vs tors. theta energy: -218.623
Dist. restrs. and SS energy: 10.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2473.275371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.275371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.693483 (E_RNA)
where:
Base-Base interactions energy: -1760.023
where: short stacking energy: -710.739
Base-Backbone interact. energy: -1.724
local terms energy: -723.946936
where:
bonds (distance) C4'-P energy: -129.434
bonds (distance) P-C4' energy: -132.609
flat angles C4'-P-C4' energy: -151.260
flat angles P-C4'-P energy: -99.494
tors. eta vs tors. theta energy: -211.150
Dist. restrs. and SS energy: 12.418 (S_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: 52
Temperature: 1.100000
Total energy: -2379.463186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.463186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.864209 (E_RNA)
where:
Base-Base interactions energy: -1717.574
where: short stacking energy: -709.017
Base-Backbone interact. energy: 0.173
local terms energy: -669.463074
where:
bonds (distance) C4'-P energy: -107.219
bonds (distance) P-C4' energy: -115.960
flat angles C4'-P-C4' energy: -140.962
flat angles P-C4'-P energy: -93.375
tors. eta vs tors. theta energy: -211.947
Dist. restrs. and SS energy: 7.401 (S_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: 52
Temperature: 1.150000
Total energy: -2202.532387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.532387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.471988 (E_RNA)
where:
Base-Base interactions energy: -1545.543
where: short stacking energy: -648.068
Base-Backbone interact. energy: -2.683
local terms energy: -680.246446
where:
bonds (distance) C4'-P energy: -121.487
bonds (distance) P-C4' energy: -128.884
flat angles C4'-P-C4' energy: -128.970
flat angles P-C4'-P energy: -100.221
tors. eta vs tors. theta energy: -200.685
Dist. restrs. and SS energy: 25.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2131.164968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.164968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.210303 (E_RNA)
where:
Base-Base interactions energy: -1469.697
where: short stacking energy: -614.373
Base-Backbone interact. energy: -1.050
local terms energy: -671.463427
where:
bonds (distance) C4'-P energy: -112.705
bonds (distance) P-C4' energy: -122.401
flat angles C4'-P-C4' energy: -147.422
flat angles P-C4'-P energy: -96.141
tors. eta vs tors. theta energy: -192.795
Dist. restrs. and SS energy: 11.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2093.788780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.788780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.007131 (E_RNA)
where:
Base-Base interactions energy: -1461.572
where: short stacking energy: -601.940
Base-Backbone interact. energy: -0.867
local terms energy: -641.568539
where:
bonds (distance) C4'-P energy: -114.876
bonds (distance) P-C4' energy: -132.105
flat angles C4'-P-C4' energy: -140.982
flat angles P-C4'-P energy: -75.560
tors. eta vs tors. theta energy: -178.046
Dist. restrs. and SS energy: 10.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1869.712056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.712056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.778292 (E_RNA)
where:
Base-Base interactions energy: -1326.013
where: short stacking energy: -561.615
Base-Backbone interact. energy: 0.803
local terms energy: -571.568460
where:
bonds (distance) C4'-P energy: -89.517
bonds (distance) P-C4' energy: -108.568
flat angles C4'-P-C4' energy: -126.138
flat angles P-C4'-P energy: -84.016
tors. eta vs tors. theta energy: -163.329
Dist. restrs. and SS energy: 27.066 (S_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: 52
Temperature: 1.350000
Total energy: -1762.362720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.362720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.268285 (E_RNA)
where:
Base-Base interactions energy: -1249.449
where: short stacking energy: -494.891
Base-Backbone interact. energy: -3.690
local terms energy: -537.129411
where:
bonds (distance) C4'-P energy: -118.505
bonds (distance) P-C4' energy: -122.552
flat angles C4'-P-C4' energy: -109.390
flat angles P-C4'-P energy: -59.727
tors. eta vs tors. theta energy: -126.956
Dist. restrs. and SS energy: 27.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2672.752428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.752428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.278561 (E_RNA)
where:
Base-Base interactions energy: -1888.703
where: short stacking energy: -754.595
Base-Backbone interact. energy: -0.246
local terms energy: -798.329231
where:
bonds (distance) C4'-P energy: -142.107
bonds (distance) P-C4' energy: -148.651
flat angles C4'-P-C4' energy: -157.078
flat angles P-C4'-P energy: -123.121
tors. eta vs tors. theta energy: -227.372
Dist. restrs. and SS energy: 14.526 (S_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: 53
Temperature: 0.950000
Total energy: -2620.550856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.550856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.886901 (E_RNA)
where:
Base-Base interactions energy: -1845.393
where: short stacking energy: -776.303
Base-Backbone interact. energy: 0.003
local terms energy: -789.497384
where:
bonds (distance) C4'-P energy: -134.979
bonds (distance) P-C4' energy: -138.028
flat angles C4'-P-C4' energy: -160.801
flat angles P-C4'-P energy: -115.211
tors. eta vs tors. theta energy: -240.479
Dist. restrs. and SS energy: 14.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2546.264881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.264881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.633246 (E_RNA)
where:
Base-Base interactions energy: -1802.610
where: short stacking energy: -760.550
Base-Backbone interact. energy: -0.649
local terms energy: -751.374621
where:
bonds (distance) C4'-P energy: -121.031
bonds (distance) P-C4' energy: -142.809
flat angles C4'-P-C4' energy: -153.597
flat angles P-C4'-P energy: -106.208
tors. eta vs tors. theta energy: -227.730
Dist. restrs. and SS energy: 8.368 (S_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: 53
Temperature: 1.050000
Total energy: -2469.232153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.232153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.255661 (E_RNA)
where:
Base-Base interactions energy: -1729.849
where: short stacking energy: -690.305
Base-Backbone interact. energy: -3.031
local terms energy: -746.374988
where:
bonds (distance) C4'-P energy: -126.135
bonds (distance) P-C4' energy: -143.615
flat angles C4'-P-C4' energy: -155.524
flat angles P-C4'-P energy: -106.070
tors. eta vs tors. theta energy: -215.031
Dist. restrs. and SS energy: 10.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2382.915882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.915882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.518186 (E_RNA)
where:
Base-Base interactions energy: -1671.534
where: short stacking energy: -675.134
Base-Backbone interact. energy: -2.010
local terms energy: -719.974772
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -141.899
flat angles C4'-P-C4' energy: -160.822
flat angles P-C4'-P energy: -91.395
tors. eta vs tors. theta energy: -209.596
Dist. restrs. and SS energy: 10.602 (S_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: 53
Temperature: 1.150000
Total energy: -2259.889244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.135131 (E_RNA)
where:
Base-Base interactions energy: -1593.107
where: short stacking energy: -634.692
Base-Backbone interact. energy: 0.751
local terms energy: -693.779037
where:
bonds (distance) C4'-P energy: -132.987
bonds (distance) P-C4' energy: -115.437
flat angles C4'-P-C4' energy: -149.904
flat angles P-C4'-P energy: -102.676
tors. eta vs tors. theta energy: -192.774
Dist. restrs. and SS energy: 26.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2148.365649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.365649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.386588 (E_RNA)
where:
Base-Base interactions energy: -1537.981
where: short stacking energy: -626.367
Base-Backbone interact. energy: 4.940
local terms energy: -644.345846
where:
bonds (distance) C4'-P energy: -115.390
bonds (distance) P-C4' energy: -116.154
flat angles C4'-P-C4' energy: -140.444
flat angles P-C4'-P energy: -77.740
tors. eta vs tors. theta energy: -194.619
Dist. restrs. and SS energy: 29.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2098.887644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.887644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.066272 (E_RNA)
where:
Base-Base interactions energy: -1497.183
where: short stacking energy: -615.062
Base-Backbone interact. energy: -0.456
local terms energy: -623.427214
where:
bonds (distance) C4'-P energy: -99.760
bonds (distance) P-C4' energy: -133.114
flat angles C4'-P-C4' energy: -137.471
flat angles P-C4'-P energy: -76.181
tors. eta vs tors. theta energy: -176.902
Dist. restrs. and SS energy: 22.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1973.349962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.349962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.061343 (E_RNA)
where:
Base-Base interactions energy: -1418.019
where: short stacking energy: -566.008
Base-Backbone interact. energy: -2.701
local terms energy: -581.341509
where:
bonds (distance) C4'-P energy: -86.631
bonds (distance) P-C4' energy: -94.807
flat angles C4'-P-C4' energy: -142.290
flat angles P-C4'-P energy: -84.233
tors. eta vs tors. theta energy: -173.380
Dist. restrs. and SS energy: 28.711 (S_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: 53
Temperature: 1.350000
Total energy: -1747.502562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.502562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.260340 (E_RNA)
where:
Base-Base interactions energy: -1222.143
where: short stacking energy: -474.698
Base-Backbone interact. energy: 0.410
local terms energy: -566.527998
where:
bonds (distance) C4'-P energy: -119.325
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -127.213
flat angles P-C4'-P energy: -73.441
tors. eta vs tors. theta energy: -133.625
Dist. restrs. and SS energy: 40.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2658.182257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.182257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.266298 (E_RNA)
where:
Base-Base interactions energy: -1863.027
where: short stacking energy: -749.997
Base-Backbone interact. energy: 2.588
local terms energy: -808.827581
where:
bonds (distance) C4'-P energy: -153.231
bonds (distance) P-C4' energy: -141.492
flat angles C4'-P-C4' energy: -165.021
flat angles P-C4'-P energy: -116.454
tors. eta vs tors. theta energy: -232.630
Dist. restrs. and SS energy: 11.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2607.149639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.149639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.321049 (E_RNA)
where:
Base-Base interactions energy: -1844.528
where: short stacking energy: -775.088
Base-Backbone interact. energy: -2.932
local terms energy: -774.860492
where:
bonds (distance) C4'-P energy: -144.386
bonds (distance) P-C4' energy: -120.069
flat angles C4'-P-C4' energy: -167.881
flat angles P-C4'-P energy: -110.669
tors. eta vs tors. theta energy: -231.856
Dist. restrs. and SS energy: 15.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2553.183441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.183441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.109362 (E_RNA)
where:
Base-Base interactions energy: -1813.206
where: short stacking energy: -744.696
Base-Backbone interact. energy: -0.881
local terms energy: -746.022471
where:
bonds (distance) C4'-P energy: -137.963
bonds (distance) P-C4' energy: -128.246
flat angles C4'-P-C4' energy: -144.619
flat angles P-C4'-P energy: -93.897
tors. eta vs tors. theta energy: -241.298
Dist. restrs. and SS energy: 6.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2465.461302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.461302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.037531 (E_RNA)
where:
Base-Base interactions energy: -1742.690
where: short stacking energy: -711.774
Base-Backbone interact. energy: -2.568
local terms energy: -732.780111
where:
bonds (distance) C4'-P energy: -136.962
bonds (distance) P-C4' energy: -123.338
flat angles C4'-P-C4' energy: -155.409
flat angles P-C4'-P energy: -110.312
tors. eta vs tors. theta energy: -206.760
Dist. restrs. and SS energy: 12.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2345.910843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.910843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.204362 (E_RNA)
where:
Base-Base interactions energy: -1635.509
where: short stacking energy: -681.383
Base-Backbone interact. energy: 1.037
local terms energy: -722.732758
where:
bonds (distance) C4'-P energy: -128.323
bonds (distance) P-C4' energy: -115.691
flat angles C4'-P-C4' energy: -147.429
flat angles P-C4'-P energy: -113.483
tors. eta vs tors. theta energy: -217.807
Dist. restrs. and SS energy: 11.294 (S_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: 54
Temperature: 1.150000
Total energy: -2247.383745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.383745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.345486 (E_RNA)
where:
Base-Base interactions energy: -1570.957
where: short stacking energy: -630.566
Base-Backbone interact. energy: -1.859
local terms energy: -693.529481
where:
bonds (distance) C4'-P energy: -144.815
bonds (distance) P-C4' energy: -110.689
flat angles C4'-P-C4' energy: -142.247
flat angles P-C4'-P energy: -101.712
tors. eta vs tors. theta energy: -194.066
Dist. restrs. and SS energy: 18.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -2168.047342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.047342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.100191 (E_RNA)
where:
Base-Base interactions energy: -1555.824
where: short stacking energy: -593.082
Base-Backbone interact. energy: -1.474
local terms energy: -628.802213
where:
bonds (distance) C4'-P energy: -109.833
bonds (distance) P-C4' energy: -129.178
flat angles C4'-P-C4' energy: -130.357
flat angles P-C4'-P energy: -83.569
tors. eta vs tors. theta energy: -175.865
Dist. restrs. and SS energy: 18.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -2088.921468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.921468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.569308 (E_RNA)
where:
Base-Base interactions energy: -1485.282
where: short stacking energy: -597.008
Base-Backbone interact. energy: -2.391
local terms energy: -624.896906
where:
bonds (distance) C4'-P energy: -90.630
bonds (distance) P-C4' energy: -124.454
flat angles C4'-P-C4' energy: -137.719
flat angles P-C4'-P energy: -92.205
tors. eta vs tors. theta energy: -179.890
Dist. restrs. and SS energy: 23.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1902.777827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.777827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.758510 (E_RNA)
where:
Base-Base interactions energy: -1399.392
where: short stacking energy: -556.551
Base-Backbone interact. energy: 0.469
local terms energy: -537.835747
where:
bonds (distance) C4'-P energy: -86.991
bonds (distance) P-C4' energy: -94.072
flat angles C4'-P-C4' energy: -119.184
flat angles P-C4'-P energy: -74.233
tors. eta vs tors. theta energy: -163.356
Dist. restrs. and SS energy: 33.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1732.028008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.028008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.928868 (E_RNA)
where:
Base-Base interactions energy: -1247.144
where: short stacking energy: -498.787
Base-Backbone interact. energy: 2.041
local terms energy: -522.825647
where:
bonds (distance) C4'-P energy: -94.772
bonds (distance) P-C4' energy: -111.010
flat angles C4'-P-C4' energy: -113.899
flat angles P-C4'-P energy: -69.150
tors. eta vs tors. theta energy: -133.995
Dist. restrs. and SS energy: 35.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2650.176755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.176755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.843210 (E_RNA)
where:
Base-Base interactions energy: -1867.234
where: short stacking energy: -751.962
Base-Backbone interact. energy: 0.812
local terms energy: -795.421377
where:
bonds (distance) C4'-P energy: -144.316
bonds (distance) P-C4' energy: -142.345
flat angles C4'-P-C4' energy: -167.597
flat angles P-C4'-P energy: -104.795
tors. eta vs tors. theta energy: -236.369
Dist. restrs. and SS energy: 11.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2594.537971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.537971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.870386 (E_RNA)
where:
Base-Base interactions energy: -1844.139
where: short stacking energy: -767.357
Base-Backbone interact. energy: -3.012
local terms energy: -755.719728
where:
bonds (distance) C4'-P energy: -132.974
bonds (distance) P-C4' energy: -137.423
flat angles C4'-P-C4' energy: -158.186
flat angles P-C4'-P energy: -99.956
tors. eta vs tors. theta energy: -227.181
Dist. restrs. and SS energy: 8.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2543.437188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.437188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.165060 (E_RNA)
where:
Base-Base interactions energy: -1795.483
where: short stacking energy: -755.732
Base-Backbone interact. energy: -2.691
local terms energy: -754.990699
where:
bonds (distance) C4'-P energy: -133.918
bonds (distance) P-C4' energy: -135.136
flat angles C4'-P-C4' energy: -157.364
flat angles P-C4'-P energy: -92.441
tors. eta vs tors. theta energy: -236.132
Dist. restrs. and SS energy: 9.728 (S_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: 55
Temperature: 1.050000
Total energy: -2432.628782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.628782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.138310 (E_RNA)
where:
Base-Base interactions energy: -1764.356
where: short stacking energy: -721.104
Base-Backbone interact. energy: 4.062
local terms energy: -684.844038
where:
bonds (distance) C4'-P energy: -112.682
bonds (distance) P-C4' energy: -121.698
flat angles C4'-P-C4' energy: -147.128
flat angles P-C4'-P energy: -93.290
tors. eta vs tors. theta energy: -210.047
Dist. restrs. and SS energy: 12.510 (S_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: 55
Temperature: 1.100000
Total energy: -2384.907778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.907778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.371065 (E_RNA)
where:
Base-Base interactions energy: -1682.879
where: short stacking energy: -680.253
Base-Backbone interact. energy: -2.195
local terms energy: -707.296843
where:
bonds (distance) C4'-P energy: -131.701
bonds (distance) P-C4' energy: -121.786
flat angles C4'-P-C4' energy: -153.746
flat angles P-C4'-P energy: -90.158
tors. eta vs tors. theta energy: -209.907
Dist. restrs. and SS energy: 7.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2249.233583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.233583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.607907 (E_RNA)
where:
Base-Base interactions energy: -1624.171
where: short stacking energy: -650.160
Base-Backbone interact. energy: 1.306
local terms energy: -645.742695
where:
bonds (distance) C4'-P energy: -109.845
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -146.731
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -200.155
Dist. restrs. and SS energy: 19.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2168.651386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.651386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.160683 (E_RNA)
where:
Base-Base interactions energy: -1511.540
where: short stacking energy: -605.567
Base-Backbone interact. energy: -0.617
local terms energy: -672.003285
where:
bonds (distance) C4'-P energy: -129.277
bonds (distance) P-C4' energy: -118.475
flat angles C4'-P-C4' energy: -140.311
flat angles P-C4'-P energy: -100.602
tors. eta vs tors. theta energy: -183.338
Dist. restrs. and SS energy: 15.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2097.456920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.456920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.355763 (E_RNA)
where:
Base-Base interactions energy: -1486.304
where: short stacking energy: -586.041
Base-Backbone interact. energy: 3.888
local terms energy: -624.939402
where:
bonds (distance) C4'-P energy: -81.924
bonds (distance) P-C4' energy: -128.896
flat angles C4'-P-C4' energy: -141.688
flat angles P-C4'-P energy: -91.617
tors. eta vs tors. theta energy: -180.814
Dist. restrs. and SS energy: 9.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1995.697265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.697265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.533337 (E_RNA)
where:
Base-Base interactions energy: -1409.176
where: short stacking energy: -570.111
Base-Backbone interact. energy: 1.852
local terms energy: -617.209282
where:
bonds (distance) C4'-P energy: -107.709
bonds (distance) P-C4' energy: -128.709
flat angles C4'-P-C4' energy: -130.715
flat angles P-C4'-P energy: -77.869
tors. eta vs tors. theta energy: -172.208
Dist. restrs. and SS energy: 28.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1861.671759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.671759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.920549 (E_RNA)
where:
Base-Base interactions energy: -1331.039
where: short stacking energy: -525.611
Base-Backbone interact. energy: 3.458
local terms energy: -560.339951
where:
bonds (distance) C4'-P energy: -107.632
bonds (distance) P-C4' energy: -106.510
flat angles C4'-P-C4' energy: -122.287
flat angles P-C4'-P energy: -83.551
tors. eta vs tors. theta energy: -140.360
Dist. restrs. and SS energy: 26.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2664.991710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.991710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.333811 (E_RNA)
where:
Base-Base interactions energy: -1884.428
where: short stacking energy: -782.243
Base-Backbone interact. energy: -2.160
local terms energy: -795.745473
where:
bonds (distance) C4'-P energy: -145.700
bonds (distance) P-C4' energy: -148.072
flat angles C4'-P-C4' energy: -161.053
flat angles P-C4'-P energy: -113.705
tors. eta vs tors. theta energy: -227.216
Dist. restrs. and SS energy: 17.342 (S_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: 56
Temperature: 0.950000
Total energy: -2587.824081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.824081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.534870 (E_RNA)
where:
Base-Base interactions energy: -1857.149
where: short stacking energy: -755.891
Base-Backbone interact. energy: -0.028
local terms energy: -741.358135
where:
bonds (distance) C4'-P energy: -132.682
bonds (distance) P-C4' energy: -122.467
flat angles C4'-P-C4' energy: -153.115
flat angles P-C4'-P energy: -106.145
tors. eta vs tors. theta energy: -226.949
Dist. restrs. and SS energy: 10.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2554.778827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.778827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.571217 (E_RNA)
where:
Base-Base interactions energy: -1806.611
where: short stacking energy: -750.332
Base-Backbone interact. energy: -1.788
local terms energy: -759.171813
where:
bonds (distance) C4'-P energy: -121.236
bonds (distance) P-C4' energy: -151.714
flat angles C4'-P-C4' energy: -148.413
flat angles P-C4'-P energy: -103.797
tors. eta vs tors. theta energy: -234.011
Dist. restrs. and SS energy: 12.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2465.449097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.449097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.485700 (E_RNA)
where:
Base-Base interactions energy: -1746.192
where: short stacking energy: -696.353
Base-Backbone interact. energy: -0.853
local terms energy: -733.440667
where:
bonds (distance) C4'-P energy: -142.218
bonds (distance) P-C4' energy: -137.124
flat angles C4'-P-C4' energy: -137.063
flat angles P-C4'-P energy: -100.351
tors. eta vs tors. theta energy: -216.685
Dist. restrs. and SS energy: 15.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2353.851825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.851825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.530401 (E_RNA)
where:
Base-Base interactions energy: -1658.273
where: short stacking energy: -682.417
Base-Backbone interact. energy: 1.046
local terms energy: -706.302863
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -112.453
flat angles C4'-P-C4' energy: -154.055
flat angles P-C4'-P energy: -105.320
tors. eta vs tors. theta energy: -214.311
Dist. restrs. and SS energy: 9.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2273.541514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.541514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.277284 (E_RNA)
where:
Base-Base interactions energy: -1627.800
where: short stacking energy: -665.064
Base-Backbone interact. energy: -0.467
local terms energy: -668.010317
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -112.294
flat angles C4'-P-C4' energy: -135.215
flat angles P-C4'-P energy: -101.588
tors. eta vs tors. theta energy: -204.759
Dist. restrs. and SS energy: 22.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2181.346117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.346117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.488030 (E_RNA)
where:
Base-Base interactions energy: -1522.319
where: short stacking energy: -619.889
Base-Backbone interact. energy: 0.310
local terms energy: -679.478399
where:
bonds (distance) C4'-P energy: -114.809
bonds (distance) P-C4' energy: -136.814
flat angles C4'-P-C4' energy: -135.539
flat angles P-C4'-P energy: -96.612
tors. eta vs tors. theta energy: -195.704
Dist. restrs. and SS energy: 20.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2067.252600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.252600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.314425 (E_RNA)
where:
Base-Base interactions energy: -1440.108
where: short stacking energy: -572.611
Base-Backbone interact. energy: -1.197
local terms energy: -638.010129
where:
bonds (distance) C4'-P energy: -96.987
bonds (distance) P-C4' energy: -132.865
flat angles C4'-P-C4' energy: -135.551
flat angles P-C4'-P energy: -101.876
tors. eta vs tors. theta energy: -170.731
Dist. restrs. and SS energy: 12.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1966.724393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.724393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.083413 (E_RNA)
where:
Base-Base interactions energy: -1426.787
where: short stacking energy: -551.061
Base-Backbone interact. energy: -2.254
local terms energy: -561.041717
where:
bonds (distance) C4'-P energy: -89.284
bonds (distance) P-C4' energy: -125.050
flat angles C4'-P-C4' energy: -120.999
flat angles P-C4'-P energy: -55.688
tors. eta vs tors. theta energy: -170.021
Dist. restrs. and SS energy: 23.359 (S_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: 56
Temperature: 1.350000
Total energy: -1822.908130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.908130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.148767 (E_RNA)
where:
Base-Base interactions energy: -1268.806
where: short stacking energy: -507.042
Base-Backbone interact. energy: -1.308
local terms energy: -584.035593
where:
bonds (distance) C4'-P energy: -122.526
bonds (distance) P-C4' energy: -116.728
flat angles C4'-P-C4' energy: -120.791
flat angles P-C4'-P energy: -79.040
tors. eta vs tors. theta energy: -144.950
Dist. restrs. and SS energy: 31.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2627.728610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.728610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.601046 (E_RNA)
where:
Base-Base interactions energy: -1872.652
where: short stacking energy: -749.338
Base-Backbone interact. energy: -3.423
local terms energy: -769.526702
where:
bonds (distance) C4'-P energy: -134.043
bonds (distance) P-C4' energy: -142.720
flat angles C4'-P-C4' energy: -162.127
flat angles P-C4'-P energy: -102.417
tors. eta vs tors. theta energy: -228.220
Dist. restrs. and SS energy: 17.872 (S_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: 57
Temperature: 0.950000
Total energy: -2569.769600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.769600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.177322 (E_RNA)
where:
Base-Base interactions energy: -1793.489
where: short stacking energy: -764.689
Base-Backbone interact. energy: -1.867
local terms energy: -785.821286
where:
bonds (distance) C4'-P energy: -138.069
bonds (distance) P-C4' energy: -142.219
flat angles C4'-P-C4' energy: -160.891
flat angles P-C4'-P energy: -111.901
tors. eta vs tors. theta energy: -232.741
Dist. restrs. and SS energy: 11.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2537.547629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.547629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.197259 (E_RNA)
where:
Base-Base interactions energy: -1774.568
where: short stacking energy: -732.884
Base-Backbone interact. energy: -1.805
local terms energy: -772.824951
where:
bonds (distance) C4'-P energy: -144.590
bonds (distance) P-C4' energy: -141.004
flat angles C4'-P-C4' energy: -155.514
flat angles P-C4'-P energy: -110.926
tors. eta vs tors. theta energy: -220.791
Dist. restrs. and SS energy: 11.650 (S_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: 57
Temperature: 1.050000
Total energy: -2475.995331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.995331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.989489 (E_RNA)
where:
Base-Base interactions energy: -1758.005
where: short stacking energy: -695.095
Base-Backbone interact. energy: 1.237
local terms energy: -731.221553
where:
bonds (distance) C4'-P energy: -131.581
bonds (distance) P-C4' energy: -124.616
flat angles C4'-P-C4' energy: -155.942
flat angles P-C4'-P energy: -105.252
tors. eta vs tors. theta energy: -213.830
Dist. restrs. and SS energy: 11.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2381.016518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.016518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.849882 (E_RNA)
where:
Base-Base interactions energy: -1691.135
where: short stacking energy: -694.763
Base-Backbone interact. energy: -3.350
local terms energy: -695.365240
where:
bonds (distance) C4'-P energy: -123.599
bonds (distance) P-C4' energy: -116.974
flat angles C4'-P-C4' energy: -148.587
flat angles P-C4'-P energy: -93.921
tors. eta vs tors. theta energy: -212.284
Dist. restrs. and SS energy: 8.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2273.293281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.293281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.058825 (E_RNA)
where:
Base-Base interactions energy: -1599.046
where: short stacking energy: -667.964
Base-Backbone interact. energy: -1.161
local terms energy: -691.851613
where:
bonds (distance) C4'-P energy: -109.903
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -153.562
flat angles P-C4'-P energy: -101.029
tors. eta vs tors. theta energy: -204.598
Dist. restrs. and SS energy: 18.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2207.909285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.909285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.977874 (E_RNA)
where:
Base-Base interactions energy: -1553.507
where: short stacking energy: -654.251
Base-Backbone interact. energy: -1.068
local terms energy: -670.402811
where:
bonds (distance) C4'-P energy: -117.449
bonds (distance) P-C4' energy: -124.590
flat angles C4'-P-C4' energy: -156.382
flat angles P-C4'-P energy: -79.589
tors. eta vs tors. theta energy: -192.392
Dist. restrs. and SS energy: 17.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2169.552615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.552615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.847446 (E_RNA)
where:
Base-Base interactions energy: -1521.379
where: short stacking energy: -605.321
Base-Backbone interact. energy: -1.004
local terms energy: -666.464267
where:
bonds (distance) C4'-P energy: -137.652
bonds (distance) P-C4' energy: -111.853
flat angles C4'-P-C4' energy: -127.189
flat angles P-C4'-P energy: -97.981
tors. eta vs tors. theta energy: -191.789
Dist. restrs. and SS energy: 19.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1963.186912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.186912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.690236 (E_RNA)
where:
Base-Base interactions energy: -1393.255
where: short stacking energy: -541.985
Base-Backbone interact. energy: -5.295
local terms energy: -594.139832
where:
bonds (distance) C4'-P energy: -93.895
bonds (distance) P-C4' energy: -128.348
flat angles C4'-P-C4' energy: -125.864
flat angles P-C4'-P energy: -73.639
tors. eta vs tors. theta energy: -172.394
Dist. restrs. and SS energy: 29.503 (S_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: 57
Temperature: 1.350000
Total energy: -1759.250867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.250867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.702763 (E_RNA)
where:
Base-Base interactions energy: -1244.880
where: short stacking energy: -508.142
Base-Backbone interact. energy: -1.220
local terms energy: -547.602478
where:
bonds (distance) C4'-P energy: -98.253
bonds (distance) P-C4' energy: -112.534
flat angles C4'-P-C4' energy: -109.958
flat angles P-C4'-P energy: -85.028
tors. eta vs tors. theta energy: -141.830
Dist. restrs. and SS energy: 34.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2629.982568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.982568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.759475 (E_RNA)
where:
Base-Base interactions energy: -1863.914
where: short stacking energy: -759.610
Base-Backbone interact. energy: -5.167
local terms energy: -778.678539
where:
bonds (distance) C4'-P energy: -134.767
bonds (distance) P-C4' energy: -141.324
flat angles C4'-P-C4' energy: -167.474
flat angles P-C4'-P energy: -115.701
tors. eta vs tors. theta energy: -219.412
Dist. restrs. and SS energy: 17.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2580.513697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.513697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.845102 (E_RNA)
where:
Base-Base interactions energy: -1806.080
where: short stacking energy: -749.653
Base-Backbone interact. energy: -2.040
local terms energy: -785.725456
where:
bonds (distance) C4'-P energy: -143.627
bonds (distance) P-C4' energy: -143.539
flat angles C4'-P-C4' energy: -155.272
flat angles P-C4'-P energy: -105.631
tors. eta vs tors. theta energy: -237.657
Dist. restrs. and SS energy: 13.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2548.388629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.388629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.707395 (E_RNA)
where:
Base-Base interactions energy: -1781.006
where: short stacking energy: -735.776
Base-Backbone interact. energy: -2.852
local terms energy: -775.848446
where:
bonds (distance) C4'-P energy: -134.524
bonds (distance) P-C4' energy: -145.212
flat angles C4'-P-C4' energy: -163.978
flat angles P-C4'-P energy: -107.512
tors. eta vs tors. theta energy: -224.623
Dist. restrs. and SS energy: 11.319 (S_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: 58
Temperature: 1.050000
Total energy: -2470.850544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.850544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.948482 (E_RNA)
where:
Base-Base interactions energy: -1766.547
where: short stacking energy: -715.960
Base-Backbone interact. energy: 4.337
local terms energy: -720.737533
where:
bonds (distance) C4'-P energy: -130.119
bonds (distance) P-C4' energy: -116.231
flat angles C4'-P-C4' energy: -157.832
flat angles P-C4'-P energy: -102.179
tors. eta vs tors. theta energy: -214.377
Dist. restrs. and SS energy: 12.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2373.305940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.305940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.878105 (E_RNA)
where:
Base-Base interactions energy: -1681.207
where: short stacking energy: -694.338
Base-Backbone interact. energy: -0.005
local terms energy: -701.666332
where:
bonds (distance) C4'-P energy: -121.727
bonds (distance) P-C4' energy: -114.865
flat angles C4'-P-C4' energy: -150.625
flat angles P-C4'-P energy: -91.500
tors. eta vs tors. theta energy: -222.950
Dist. restrs. and SS energy: 9.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2305.671370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.671370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.553720 (E_RNA)
where:
Base-Base interactions energy: -1631.386
where: short stacking energy: -661.195
Base-Backbone interact. energy: -0.919
local terms energy: -686.248298
where:
bonds (distance) C4'-P energy: -116.914
bonds (distance) P-C4' energy: -120.514
flat angles C4'-P-C4' energy: -149.867
flat angles P-C4'-P energy: -93.273
tors. eta vs tors. theta energy: -205.679
Dist. restrs. and SS energy: 12.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2168.891524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.891524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.798966 (E_RNA)
where:
Base-Base interactions energy: -1502.579
where: short stacking energy: -621.990
Base-Backbone interact. energy: -4.278
local terms energy: -680.942437
where:
bonds (distance) C4'-P energy: -115.660
bonds (distance) P-C4' energy: -127.499
flat angles C4'-P-C4' energy: -149.794
flat angles P-C4'-P energy: -87.566
tors. eta vs tors. theta energy: -200.423
Dist. restrs. and SS energy: 18.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2108.690532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.690532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.319898 (E_RNA)
where:
Base-Base interactions energy: -1510.304
where: short stacking energy: -606.538
Base-Backbone interact. energy: -0.784
local terms energy: -615.231648
where:
bonds (distance) C4'-P energy: -107.779
bonds (distance) P-C4' energy: -124.774
flat angles C4'-P-C4' energy: -129.720
flat angles P-C4'-P energy: -73.159
tors. eta vs tors. theta energy: -179.800
Dist. restrs. and SS energy: 17.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1944.661301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.661301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.381970 (E_RNA)
where:
Base-Base interactions energy: -1382.288
where: short stacking energy: -550.010
Base-Backbone interact. energy: -0.023
local terms energy: -586.070893
where:
bonds (distance) C4'-P energy: -99.680
bonds (distance) P-C4' energy: -106.916
flat angles C4'-P-C4' energy: -137.713
flat angles P-C4'-P energy: -84.121
tors. eta vs tors. theta energy: -157.641
Dist. restrs. and SS energy: 23.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1772.475062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.475062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.043894 (E_RNA)
where:
Base-Base interactions energy: -1237.445
where: short stacking energy: -499.311
Base-Backbone interact. energy: -0.677
local terms energy: -570.921527
where:
bonds (distance) C4'-P energy: -107.136
bonds (distance) P-C4' energy: -99.443
flat angles C4'-P-C4' energy: -130.098
flat angles P-C4'-P energy: -89.945
tors. eta vs tors. theta energy: -144.300
Dist. restrs. and SS energy: 36.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2654.886946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.886946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.937181 (E_RNA)
where:
Base-Base interactions energy: -1865.227
where: short stacking energy: -761.191
Base-Backbone interact. energy: -2.291
local terms energy: -804.419315
where:
bonds (distance) C4'-P energy: -146.069
bonds (distance) P-C4' energy: -146.616
flat angles C4'-P-C4' energy: -176.342
flat angles P-C4'-P energy: -113.334
tors. eta vs tors. theta energy: -222.059
Dist. restrs. and SS energy: 17.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2610.622329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.622329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.564003 (E_RNA)
where:
Base-Base interactions energy: -1831.535
where: short stacking energy: -767.304
Base-Backbone interact. energy: -3.433
local terms energy: -785.596191
where:
bonds (distance) C4'-P energy: -132.852
bonds (distance) P-C4' energy: -141.161
flat angles C4'-P-C4' energy: -160.464
flat angles P-C4'-P energy: -114.318
tors. eta vs tors. theta energy: -236.801
Dist. restrs. and SS energy: 9.942 (S_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: 59
Temperature: 1.000000
Total energy: -2542.892339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.892339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.311356 (E_RNA)
where:
Base-Base interactions energy: -1807.486
where: short stacking energy: -751.722
Base-Backbone interact. energy: -3.452
local terms energy: -742.373922
where:
bonds (distance) C4'-P energy: -138.162
bonds (distance) P-C4' energy: -136.631
flat angles C4'-P-C4' energy: -143.171
flat angles P-C4'-P energy: -95.354
tors. eta vs tors. theta energy: -229.056
Dist. restrs. and SS energy: 10.419 (S_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: 59
Temperature: 1.050000
Total energy: -2465.759018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.759018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.107162 (E_RNA)
where:
Base-Base interactions energy: -1781.730
where: short stacking energy: -699.920
Base-Backbone interact. energy: -0.733
local terms energy: -692.643543
where:
bonds (distance) C4'-P energy: -124.047
bonds (distance) P-C4' energy: -130.940
flat angles C4'-P-C4' energy: -144.632
flat angles P-C4'-P energy: -82.092
tors. eta vs tors. theta energy: -210.933
Dist. restrs. and SS energy: 9.348 (S_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: 59
Temperature: 1.100000
Total energy: -2382.016050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.576067 (E_RNA)
where:
Base-Base interactions energy: -1670.796
where: short stacking energy: -690.723
Base-Backbone interact. energy: 1.121
local terms energy: -718.900346
where:
bonds (distance) C4'-P energy: -121.599
bonds (distance) P-C4' energy: -133.597
flat angles C4'-P-C4' energy: -142.735
flat angles P-C4'-P energy: -105.098
tors. eta vs tors. theta energy: -215.871
Dist. restrs. and SS energy: 6.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2267.793633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.793633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.165828 (E_RNA)
where:
Base-Base interactions energy: -1586.092
where: short stacking energy: -660.122
Base-Backbone interact. energy: -3.691
local terms energy: -701.383482
where:
bonds (distance) C4'-P energy: -117.255
bonds (distance) P-C4' energy: -128.284
flat angles C4'-P-C4' energy: -148.436
flat angles P-C4'-P energy: -98.324
tors. eta vs tors. theta energy: -209.084
Dist. restrs. and SS energy: 23.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2129.083605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.083605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.230832 (E_RNA)
where:
Base-Base interactions energy: -1498.267
where: short stacking energy: -599.254
Base-Backbone interact. energy: -1.978
local terms energy: -639.985170
where:
bonds (distance) C4'-P energy: -116.352
bonds (distance) P-C4' energy: -125.779
flat angles C4'-P-C4' energy: -124.082
flat angles P-C4'-P energy: -87.162
tors. eta vs tors. theta energy: -186.611
Dist. restrs. and SS energy: 11.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2102.511839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.511839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.113925 (E_RNA)
where:
Base-Base interactions energy: -1480.773
where: short stacking energy: -608.204
Base-Backbone interact. energy: 0.920
local terms energy: -641.261156
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -104.441
flat angles C4'-P-C4' energy: -144.286
flat angles P-C4'-P energy: -97.967
tors. eta vs tors. theta energy: -185.233
Dist. restrs. and SS energy: 18.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1894.208040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.208040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.613761 (E_RNA)
where:
Base-Base interactions energy: -1329.331
where: short stacking energy: -536.743
Base-Backbone interact. energy: 5.367
local terms energy: -598.650655
where:
bonds (distance) C4'-P energy: -104.189
bonds (distance) P-C4' energy: -120.873
flat angles C4'-P-C4' energy: -144.172
flat angles P-C4'-P energy: -74.402
tors. eta vs tors. theta energy: -155.015
Dist. restrs. and SS energy: 28.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1778.427214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.427214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.989352 (E_RNA)
where:
Base-Base interactions energy: -1261.634
where: short stacking energy: -520.784
Base-Backbone interact. energy: -2.540
local terms energy: -553.815475
where:
bonds (distance) C4'-P energy: -117.756
bonds (distance) P-C4' energy: -88.086
flat angles C4'-P-C4' energy: -119.001
flat angles P-C4'-P energy: -83.577
tors. eta vs tors. theta energy: -145.396
Dist. restrs. and SS energy: 39.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2687.154710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.154710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.397446 (E_RNA)
where:
Base-Base interactions energy: -1895.072
where: short stacking energy: -780.051
Base-Backbone interact. energy: -3.359
local terms energy: -800.966667
where:
bonds (distance) C4'-P energy: -145.172
bonds (distance) P-C4' energy: -135.704
flat angles C4'-P-C4' energy: -163.909
flat angles P-C4'-P energy: -115.162
tors. eta vs tors. theta energy: -241.019
Dist. restrs. and SS energy: 12.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2585.014672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.014672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.202191 (E_RNA)
where:
Base-Base interactions energy: -1816.093
where: short stacking energy: -771.333
Base-Backbone interact. energy: -0.946
local terms energy: -785.163216
where:
bonds (distance) C4'-P energy: -141.856
bonds (distance) P-C4' energy: -142.338
flat angles C4'-P-C4' energy: -160.601
flat angles P-C4'-P energy: -112.322
tors. eta vs tors. theta energy: -228.047
Dist. restrs. and SS energy: 17.188 (S_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: 60
Temperature: 1.000000
Total energy: -2530.923723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.923723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.520556 (E_RNA)
where:
Base-Base interactions energy: -1784.411
where: short stacking energy: -746.206
Base-Backbone interact. energy: -0.830
local terms energy: -755.278628
where:
bonds (distance) C4'-P energy: -135.699
bonds (distance) P-C4' energy: -133.763
flat angles C4'-P-C4' energy: -162.588
flat angles P-C4'-P energy: -98.291
tors. eta vs tors. theta energy: -224.938
Dist. restrs. and SS energy: 9.597 (S_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: 60
Temperature: 1.050000
Total energy: -2475.228358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.228358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.674155 (E_RNA)
where:
Base-Base interactions energy: -1742.000
where: short stacking energy: -693.173
Base-Backbone interact. energy: -2.951
local terms energy: -743.722835
where:
bonds (distance) C4'-P energy: -124.652
bonds (distance) P-C4' energy: -141.297
flat angles C4'-P-C4' energy: -160.475
flat angles P-C4'-P energy: -105.690
tors. eta vs tors. theta energy: -211.609
Dist. restrs. and SS energy: 13.446 (S_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: 60
Temperature: 1.100000
Total energy: -2410.848868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.848868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.180598 (E_RNA)
where:
Base-Base interactions energy: -1701.936
where: short stacking energy: -692.736
Base-Backbone interact. energy: 0.905
local terms energy: -728.149935
where:
bonds (distance) C4'-P energy: -144.964
bonds (distance) P-C4' energy: -128.891
flat angles C4'-P-C4' energy: -143.577
flat angles P-C4'-P energy: -99.738
tors. eta vs tors. theta energy: -210.979
Dist. restrs. and SS energy: 18.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2305.624349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.624349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.904149 (E_RNA)
where:
Base-Base interactions energy: -1622.817
where: short stacking energy: -671.735
Base-Backbone interact. energy: -3.080
local terms energy: -701.007298
where:
bonds (distance) C4'-P energy: -117.902
bonds (distance) P-C4' energy: -120.234
flat angles C4'-P-C4' energy: -155.820
flat angles P-C4'-P energy: -98.399
tors. eta vs tors. theta energy: -208.652
Dist. restrs. and SS energy: 21.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2208.197116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.197116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.105918 (E_RNA)
where:
Base-Base interactions energy: -1584.524
where: short stacking energy: -636.599
Base-Backbone interact. energy: -1.175
local terms energy: -638.406815
where:
bonds (distance) C4'-P energy: -118.016
bonds (distance) P-C4' energy: -119.864
flat angles C4'-P-C4' energy: -130.679
flat angles P-C4'-P energy: -79.685
tors. eta vs tors. theta energy: -190.162
Dist. restrs. and SS energy: 15.909 (S_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: 60
Temperature: 1.250000
Total energy: -2077.837231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.837231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.931931 (E_RNA)
where:
Base-Base interactions energy: -1468.392
where: short stacking energy: -585.844
Base-Backbone interact. energy: -2.695
local terms energy: -629.845378
where:
bonds (distance) C4'-P energy: -110.457
bonds (distance) P-C4' energy: -105.515
flat angles C4'-P-C4' energy: -136.408
flat angles P-C4'-P energy: -91.704
tors. eta vs tors. theta energy: -185.761
Dist. restrs. and SS energy: 23.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1849.882585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.882585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.932582 (E_RNA)
where:
Base-Base interactions energy: -1341.354
where: short stacking energy: -530.081
Base-Backbone interact. energy: 0.880
local terms energy: -530.458059
where:
bonds (distance) C4'-P energy: -95.584
bonds (distance) P-C4' energy: -93.767
flat angles C4'-P-C4' energy: -124.756
flat angles P-C4'-P energy: -65.889
tors. eta vs tors. theta energy: -150.462
Dist. restrs. and SS energy: 21.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1784.175890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.175890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.018303 (E_RNA)
where:
Base-Base interactions energy: -1284.045
where: short stacking energy: -536.834
Base-Backbone interact. energy: -3.575
local terms energy: -541.397791
where:
bonds (distance) C4'-P energy: -87.194
bonds (distance) P-C4' energy: -101.975
flat angles C4'-P-C4' energy: -129.227
flat angles P-C4'-P energy: -68.536
tors. eta vs tors. theta energy: -154.465
Dist. restrs. and SS energy: 44.842 (S_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: 61
Temperature: 0.900000
Total energy: -2669.977151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.977151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.186414 (E_RNA)
where:
Base-Base interactions energy: -1877.699
where: short stacking energy: -771.814
Base-Backbone interact. energy: -3.233
local terms energy: -798.254471
where:
bonds (distance) C4'-P energy: -142.486
bonds (distance) P-C4' energy: -150.606
flat angles C4'-P-C4' energy: -156.069
flat angles P-C4'-P energy: -111.442
tors. eta vs tors. theta energy: -237.651
Dist. restrs. and SS energy: 9.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2573.597401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.597401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.423401 (E_RNA)
where:
Base-Base interactions energy: -1848.253
where: short stacking energy: -760.597
Base-Backbone interact. energy: -3.264
local terms energy: -737.906325
where:
bonds (distance) C4'-P energy: -112.111
bonds (distance) P-C4' energy: -129.930
flat angles C4'-P-C4' energy: -153.930
flat angles P-C4'-P energy: -105.391
tors. eta vs tors. theta energy: -236.545
Dist. restrs. and SS energy: 15.826 (S_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: 61
Temperature: 1.000000
Total energy: -2543.570354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.570354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.716609 (E_RNA)
where:
Base-Base interactions energy: -1798.611
where: short stacking energy: -746.463
Base-Backbone interact. energy: -1.530
local terms energy: -753.576493
where:
bonds (distance) C4'-P energy: -128.071
bonds (distance) P-C4' energy: -128.525
flat angles C4'-P-C4' energy: -158.312
flat angles P-C4'-P energy: -111.186
tors. eta vs tors. theta energy: -227.483
Dist. restrs. and SS energy: 10.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2444.173712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.173712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.575118 (E_RNA)
where:
Base-Base interactions energy: -1743.830
where: short stacking energy: -694.825
Base-Backbone interact. energy: -1.128
local terms energy: -711.617178
where:
bonds (distance) C4'-P energy: -122.719
bonds (distance) P-C4' energy: -124.495
flat angles C4'-P-C4' energy: -150.373
flat angles P-C4'-P energy: -110.653
tors. eta vs tors. theta energy: -203.377
Dist. restrs. and SS energy: 12.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2442.370006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.370006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.162621 (E_RNA)
where:
Base-Base interactions energy: -1743.964
where: short stacking energy: -740.986
Base-Backbone interact. energy: 0.444
local terms energy: -707.642916
where:
bonds (distance) C4'-P energy: -125.475
bonds (distance) P-C4' energy: -114.489
flat angles C4'-P-C4' energy: -149.674
flat angles P-C4'-P energy: -100.257
tors. eta vs tors. theta energy: -217.749
Dist. restrs. and SS energy: 8.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2262.421168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.421168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.234625 (E_RNA)
where:
Base-Base interactions energy: -1601.093
where: short stacking energy: -667.032
Base-Backbone interact. energy: -2.906
local terms energy: -683.234922
where:
bonds (distance) C4'-P energy: -125.625
bonds (distance) P-C4' energy: -120.129
flat angles C4'-P-C4' energy: -130.545
flat angles P-C4'-P energy: -94.146
tors. eta vs tors. theta energy: -212.791
Dist. restrs. and SS energy: 24.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2215.603058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.603058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.063931 (E_RNA)
where:
Base-Base interactions energy: -1572.901
where: short stacking energy: -633.149
Base-Backbone interact. energy: -1.761
local terms energy: -653.402617
where:
bonds (distance) C4'-P energy: -112.400
bonds (distance) P-C4' energy: -117.391
flat angles C4'-P-C4' energy: -135.692
flat angles P-C4'-P energy: -99.259
tors. eta vs tors. theta energy: -188.661
Dist. restrs. and SS energy: 12.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2083.350323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.350323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.670637 (E_RNA)
where:
Base-Base interactions energy: -1481.484
where: short stacking energy: -612.057
Base-Backbone interact. energy: 3.937
local terms energy: -621.124010
where:
bonds (distance) C4'-P energy: -115.631
bonds (distance) P-C4' energy: -116.191
flat angles C4'-P-C4' energy: -139.346
flat angles P-C4'-P energy: -73.648
tors. eta vs tors. theta energy: -176.308
Dist. restrs. and SS energy: 15.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1878.249378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.249378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.181896 (E_RNA)
where:
Base-Base interactions energy: -1357.127
where: short stacking energy: -530.356
Base-Backbone interact. energy: 4.597
local terms energy: -559.652012
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -118.472
flat angles C4'-P-C4' energy: -123.510
flat angles P-C4'-P energy: -80.519
tors. eta vs tors. theta energy: -142.694
Dist. restrs. and SS energy: 33.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1767.340771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.340771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.763027 (E_RNA)
where:
Base-Base interactions energy: -1258.743
where: short stacking energy: -529.360
Base-Backbone interact. energy: -1.051
local terms energy: -556.969153
where:
bonds (distance) C4'-P energy: -82.776
bonds (distance) P-C4' energy: -109.848
flat angles C4'-P-C4' energy: -122.699
flat angles P-C4'-P energy: -89.238
tors. eta vs tors. theta energy: -152.408
Dist. restrs. and SS energy: 49.422 (S_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: 62
Temperature: 0.900000
Total energy: -2686.849487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.849487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.062484 (E_RNA)
where:
Base-Base interactions energy: -1902.004
where: short stacking energy: -791.403
Base-Backbone interact. energy: -0.638
local terms energy: -797.420330
where:
bonds (distance) C4'-P energy: -131.834
bonds (distance) P-C4' energy: -136.791
flat angles C4'-P-C4' energy: -165.964
flat angles P-C4'-P energy: -120.880
tors. eta vs tors. theta energy: -241.951
Dist. restrs. and SS energy: 13.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2571.797342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.797342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.480131 (E_RNA)
where:
Base-Base interactions energy: -1803.705
where: short stacking energy: -752.552
Base-Backbone interact. energy: -0.609
local terms energy: -778.165576
where:
bonds (distance) C4'-P energy: -132.674
bonds (distance) P-C4' energy: -140.671
flat angles C4'-P-C4' energy: -152.693
flat angles P-C4'-P energy: -122.629
tors. eta vs tors. theta energy: -229.498
Dist. restrs. and SS energy: 10.683 (S_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: 62
Temperature: 1.000000
Total energy: -2547.525209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.525209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.094515 (E_RNA)
where:
Base-Base interactions energy: -1814.827
where: short stacking energy: -748.597
Base-Backbone interact. energy: 0.891
local terms energy: -747.158527
where:
bonds (distance) C4'-P energy: -124.335
bonds (distance) P-C4' energy: -129.201
flat angles C4'-P-C4' energy: -158.501
flat angles P-C4'-P energy: -97.446
tors. eta vs tors. theta energy: -237.676
Dist. restrs. and SS energy: 13.569 (S_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: 62
Temperature: 1.050000
Total energy: -2479.071206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.071206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.532898 (E_RNA)
where:
Base-Base interactions energy: -1775.280
where: short stacking energy: -734.889
Base-Backbone interact. energy: -2.612
local terms energy: -708.641181
where:
bonds (distance) C4'-P energy: -126.452
bonds (distance) P-C4' energy: -120.326
flat angles C4'-P-C4' energy: -147.939
flat angles P-C4'-P energy: -100.177
tors. eta vs tors. theta energy: -213.748
Dist. restrs. and SS energy: 7.462 (S_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: 62
Temperature: 1.100000
Total energy: -2464.000550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.000550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.151395 (E_RNA)
where:
Base-Base interactions energy: -1756.278
where: short stacking energy: -711.161
Base-Backbone interact. energy: -2.568
local terms energy: -713.305642
where:
bonds (distance) C4'-P energy: -112.784
bonds (distance) P-C4' energy: -122.707
flat angles C4'-P-C4' energy: -157.810
flat angles P-C4'-P energy: -102.886
tors. eta vs tors. theta energy: -217.120
Dist. restrs. and SS energy: 8.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2252.590984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.590984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.553486 (E_RNA)
where:
Base-Base interactions energy: -1609.049
where: short stacking energy: -674.128
Base-Backbone interact. energy: -1.585
local terms energy: -656.919493
where:
bonds (distance) C4'-P energy: -111.710
bonds (distance) P-C4' energy: -115.769
flat angles C4'-P-C4' energy: -141.817
flat angles P-C4'-P energy: -87.599
tors. eta vs tors. theta energy: -200.025
Dist. restrs. and SS energy: 14.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2237.625393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.625393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.872000 (E_RNA)
where:
Base-Base interactions energy: -1585.369
where: short stacking energy: -648.707
Base-Backbone interact. energy: -2.152
local terms energy: -666.350995
where:
bonds (distance) C4'-P energy: -119.590
bonds (distance) P-C4' energy: -115.559
flat angles C4'-P-C4' energy: -151.179
flat angles P-C4'-P energy: -89.045
tors. eta vs tors. theta energy: -190.978
Dist. restrs. and SS energy: 16.247 (S_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: 62
Temperature: 1.250000
Total energy: -2058.794350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.794350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.334653 (E_RNA)
where:
Base-Base interactions energy: -1453.578
where: short stacking energy: -572.915
Base-Backbone interact. energy: -1.413
local terms energy: -630.344222
where:
bonds (distance) C4'-P energy: -101.324
bonds (distance) P-C4' energy: -117.178
flat angles C4'-P-C4' energy: -150.417
flat angles P-C4'-P energy: -83.166
tors. eta vs tors. theta energy: -178.259
Dist. restrs. and SS energy: 26.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1968.978310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.978310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.977785 (E_RNA)
where:
Base-Base interactions energy: -1379.221
where: short stacking energy: -567.074
Base-Backbone interact. energy: -3.048
local terms energy: -613.708604
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -124.969
flat angles C4'-P-C4' energy: -133.387
flat angles P-C4'-P energy: -77.405
tors. eta vs tors. theta energy: -161.685
Dist. restrs. and SS energy: 26.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1745.138699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.138699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.323562 (E_RNA)
where:
Base-Base interactions energy: -1241.162
where: short stacking energy: -472.687
Base-Backbone interact. energy: -1.432
local terms energy: -536.729337
where:
bonds (distance) C4'-P energy: -101.092
bonds (distance) P-C4' energy: -113.059
flat angles C4'-P-C4' energy: -127.848
flat angles P-C4'-P energy: -61.617
tors. eta vs tors. theta energy: -133.114
Dist. restrs. and SS energy: 34.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2677.145682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.145682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.964015 (E_RNA)
where:
Base-Base interactions energy: -1870.376
where: short stacking energy: -780.219
Base-Backbone interact. energy: -0.924
local terms energy: -816.664370
where:
bonds (distance) C4'-P energy: -138.740
bonds (distance) P-C4' energy: -148.857
flat angles C4'-P-C4' energy: -178.585
flat angles P-C4'-P energy: -116.218
tors. eta vs tors. theta energy: -234.265
Dist. restrs. and SS energy: 10.818 (S_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: 63
Temperature: 0.950000
Total energy: -2599.221136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.221136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.309544 (E_RNA)
where:
Base-Base interactions energy: -1834.430
where: short stacking energy: -774.330
Base-Backbone interact. energy: -1.490
local terms energy: -772.389961
where:
bonds (distance) C4'-P energy: -128.033
bonds (distance) P-C4' energy: -128.357
flat angles C4'-P-C4' energy: -156.955
flat angles P-C4'-P energy: -119.609
tors. eta vs tors. theta energy: -239.436
Dist. restrs. and SS energy: 9.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2537.069751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.069751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.586575 (E_RNA)
where:
Base-Base interactions energy: -1768.383
where: short stacking energy: -736.509
Base-Backbone interact. energy: -4.968
local terms energy: -777.235127
where:
bonds (distance) C4'-P energy: -140.440
bonds (distance) P-C4' energy: -145.642
flat angles C4'-P-C4' energy: -151.986
flat angles P-C4'-P energy: -105.796
tors. eta vs tors. theta energy: -233.371
Dist. restrs. and SS energy: 13.517 (S_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: 63
Temperature: 1.050000
Total energy: -2482.236083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.236083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.773582 (E_RNA)
where:
Base-Base interactions energy: -1790.728
where: short stacking energy: -730.048
Base-Backbone interact. energy: -1.821
local terms energy: -700.224436
where:
bonds (distance) C4'-P energy: -125.008
bonds (distance) P-C4' energy: -107.520
flat angles C4'-P-C4' energy: -145.406
flat angles P-C4'-P energy: -106.111
tors. eta vs tors. theta energy: -216.181
Dist. restrs. and SS energy: 10.537 (S_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: 63
Temperature: 1.100000
Total energy: -2441.464463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.464463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.674363 (E_RNA)
where:
Base-Base interactions energy: -1747.315
where: short stacking energy: -683.499
Base-Backbone interact. energy: -1.644
local terms energy: -699.715949
where:
bonds (distance) C4'-P energy: -124.343
bonds (distance) P-C4' energy: -120.762
flat angles C4'-P-C4' energy: -142.777
flat angles P-C4'-P energy: -102.051
tors. eta vs tors. theta energy: -209.783
Dist. restrs. and SS energy: 7.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2271.850559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.850559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.458404 (E_RNA)
where:
Base-Base interactions energy: -1613.043
where: short stacking energy: -650.243
Base-Backbone interact. energy: -3.198
local terms energy: -673.217842
where:
bonds (distance) C4'-P energy: -119.348
bonds (distance) P-C4' energy: -113.745
flat angles C4'-P-C4' energy: -144.242
flat angles P-C4'-P energy: -94.352
tors. eta vs tors. theta energy: -201.531
Dist. restrs. and SS energy: 17.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2238.203465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.203465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.306563 (E_RNA)
where:
Base-Base interactions energy: -1599.736
where: short stacking energy: -668.248
Base-Backbone interact. energy: -3.087
local terms energy: -649.482911
where:
bonds (distance) C4'-P energy: -106.086
bonds (distance) P-C4' energy: -116.231
flat angles C4'-P-C4' energy: -135.970
flat angles P-C4'-P energy: -84.994
tors. eta vs tors. theta energy: -206.201
Dist. restrs. and SS energy: 14.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2077.240022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.240022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.510938 (E_RNA)
where:
Base-Base interactions energy: -1461.841
where: short stacking energy: -594.900
Base-Backbone interact. energy: 0.028
local terms energy: -638.698559
where:
bonds (distance) C4'-P energy: -111.358
bonds (distance) P-C4' energy: -95.354
flat angles C4'-P-C4' energy: -153.546
flat angles P-C4'-P energy: -103.397
tors. eta vs tors. theta energy: -175.044
Dist. restrs. and SS energy: 23.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1870.444228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.444228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.822572 (E_RNA)
where:
Base-Base interactions energy: -1344.960
where: short stacking energy: -543.670
Base-Backbone interact. energy: 0.435
local terms energy: -556.296989
where:
bonds (distance) C4'-P energy: -80.311
bonds (distance) P-C4' energy: -114.762
flat angles C4'-P-C4' energy: -125.670
flat angles P-C4'-P energy: -80.182
tors. eta vs tors. theta energy: -155.373
Dist. restrs. and SS energy: 30.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1768.910059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.910059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.172550 (E_RNA)
where:
Base-Base interactions energy: -1262.089
where: short stacking energy: -526.515
Base-Backbone interact. energy: 7.230
local terms energy: -549.314337
where:
bonds (distance) C4'-P energy: -95.553
bonds (distance) P-C4' energy: -119.238
flat angles C4'-P-C4' energy: -125.582
flat angles P-C4'-P energy: -54.626
tors. eta vs tors. theta energy: -154.315
Dist. restrs. and SS energy: 35.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2669.940602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.940602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.846290 (E_RNA)
where:
Base-Base interactions energy: -1882.496
where: short stacking energy: -795.248
Base-Backbone interact. energy: 3.379
local terms energy: -799.730004
where:
bonds (distance) C4'-P energy: -137.686
bonds (distance) P-C4' energy: -136.153
flat angles C4'-P-C4' energy: -164.557
flat angles P-C4'-P energy: -114.763
tors. eta vs tors. theta energy: -246.571
Dist. restrs. and SS energy: 8.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2647.359667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.359667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.083320 (E_RNA)
where:
Base-Base interactions energy: -1847.214
where: short stacking energy: -759.807
Base-Backbone interact. energy: -1.341
local terms energy: -812.528840
where:
bonds (distance) C4'-P energy: -148.569
bonds (distance) P-C4' energy: -146.295
flat angles C4'-P-C4' energy: -160.050
flat angles P-C4'-P energy: -120.269
tors. eta vs tors. theta energy: -237.346
Dist. restrs. and SS energy: 13.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2522.801929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.801929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.623828 (E_RNA)
where:
Base-Base interactions energy: -1763.408
where: short stacking energy: -719.409
Base-Backbone interact. energy: -2.100
local terms energy: -765.115958
where:
bonds (distance) C4'-P energy: -143.900
bonds (distance) P-C4' energy: -129.390
flat angles C4'-P-C4' energy: -149.133
flat angles P-C4'-P energy: -116.205
tors. eta vs tors. theta energy: -226.488
Dist. restrs. and SS energy: 7.822 (S_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: 64
Temperature: 1.050000
Total energy: -2499.005931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.005931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.382570 (E_RNA)
where:
Base-Base interactions energy: -1748.877
where: short stacking energy: -730.924
Base-Backbone interact. energy: -2.233
local terms energy: -757.273130
where:
bonds (distance) C4'-P energy: -132.431
bonds (distance) P-C4' energy: -145.202
flat angles C4'-P-C4' energy: -154.709
flat angles P-C4'-P energy: -97.125
tors. eta vs tors. theta energy: -227.807
Dist. restrs. and SS energy: 9.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2398.210385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.210385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.270188 (E_RNA)
where:
Base-Base interactions energy: -1700.899
where: short stacking energy: -686.658
Base-Backbone interact. energy: -4.818
local terms energy: -702.553082
where:
bonds (distance) C4'-P energy: -115.075
bonds (distance) P-C4' energy: -134.242
flat angles C4'-P-C4' energy: -147.444
flat angles P-C4'-P energy: -94.905
tors. eta vs tors. theta energy: -210.887
Dist. restrs. and SS energy: 10.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2288.555139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.555139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.285148 (E_RNA)
where:
Base-Base interactions energy: -1640.258
where: short stacking energy: -676.247
Base-Backbone interact. energy: 1.380
local terms energy: -671.407927
where:
bonds (distance) C4'-P energy: -124.972
bonds (distance) P-C4' energy: -120.989
flat angles C4'-P-C4' energy: -138.775
flat angles P-C4'-P energy: -89.842
tors. eta vs tors. theta energy: -196.831
Dist. restrs. and SS energy: 21.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2266.150097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.150097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.188664 (E_RNA)
where:
Base-Base interactions energy: -1653.391
where: short stacking energy: -657.356
Base-Backbone interact. energy: 5.102
local terms energy: -628.900307
where:
bonds (distance) C4'-P energy: -127.361
bonds (distance) P-C4' energy: -85.512
flat angles C4'-P-C4' energy: -144.559
flat angles P-C4'-P energy: -82.420
tors. eta vs tors. theta energy: -189.048
Dist. restrs. and SS energy: 11.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2087.218148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.218148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.850602 (E_RNA)
where:
Base-Base interactions energy: -1483.089
where: short stacking energy: -597.751
Base-Backbone interact. energy: -1.108
local terms energy: -622.653164
where:
bonds (distance) C4'-P energy: -99.683
bonds (distance) P-C4' energy: -127.382
flat angles C4'-P-C4' energy: -132.030
flat angles P-C4'-P energy: -78.575
tors. eta vs tors. theta energy: -184.984
Dist. restrs. and SS energy: 19.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1870.940346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.940346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.569765 (E_RNA)
where:
Base-Base interactions energy: -1309.555
where: short stacking energy: -517.372
Base-Backbone interact. energy: -1.477
local terms energy: -594.538112
where:
bonds (distance) C4'-P energy: -106.712
bonds (distance) P-C4' energy: -114.759
flat angles C4'-P-C4' energy: -129.128
flat angles P-C4'-P energy: -85.827
tors. eta vs tors. theta energy: -158.112
Dist. restrs. and SS energy: 34.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1809.599185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.599185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.492651 (E_RNA)
where:
Base-Base interactions energy: -1281.419
where: short stacking energy: -514.963
Base-Backbone interact. energy: 0.518
local terms energy: -560.591562
where:
bonds (distance) C4'-P energy: -104.602
bonds (distance) P-C4' energy: -95.849
flat angles C4'-P-C4' energy: -132.316
flat angles P-C4'-P energy: -85.678
tors. eta vs tors. theta energy: -142.146
Dist. restrs. and SS energy: 31.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2670.754731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.754731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.526364 (E_RNA)
where:
Base-Base interactions energy: -1890.740
where: short stacking energy: -795.815
Base-Backbone interact. energy: -3.179
local terms energy: -790.607165
where:
bonds (distance) C4'-P energy: -136.282
bonds (distance) P-C4' energy: -143.482
flat angles C4'-P-C4' energy: -160.281
flat angles P-C4'-P energy: -117.419
tors. eta vs tors. theta energy: -233.143
Dist. restrs. and SS energy: 13.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2590.932205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.932205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.597830 (E_RNA)
where:
Base-Base interactions energy: -1832.864
where: short stacking energy: -756.212
Base-Backbone interact. energy: -3.796
local terms energy: -763.938230
where:
bonds (distance) C4'-P energy: -130.338
bonds (distance) P-C4' energy: -132.600
flat angles C4'-P-C4' energy: -161.524
flat angles P-C4'-P energy: -119.310
tors. eta vs tors. theta energy: -220.167
Dist. restrs. and SS energy: 9.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2505.311810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.311810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.358900 (E_RNA)
where:
Base-Base interactions energy: -1768.023
where: short stacking energy: -729.612
Base-Backbone interact. energy: -2.506
local terms energy: -746.830151
where:
bonds (distance) C4'-P energy: -131.294
bonds (distance) P-C4' energy: -119.324
flat angles C4'-P-C4' energy: -159.251
flat angles P-C4'-P energy: -112.951
tors. eta vs tors. theta energy: -224.010
Dist. restrs. and SS energy: 12.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2480.887329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.887329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.037370 (E_RNA)
where:
Base-Base interactions energy: -1744.940
where: short stacking energy: -725.531
Base-Backbone interact. energy: -2.488
local terms energy: -741.608731
where:
bonds (distance) C4'-P energy: -128.524
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -155.995
flat angles P-C4'-P energy: -103.065
tors. eta vs tors. theta energy: -224.960
Dist. restrs. and SS energy: 8.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2431.394934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.394934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.805572 (E_RNA)
where:
Base-Base interactions energy: -1722.691
where: short stacking energy: -687.894
Base-Backbone interact. energy: -1.191
local terms energy: -715.923589
where:
bonds (distance) C4'-P energy: -139.182
bonds (distance) P-C4' energy: -134.638
flat angles C4'-P-C4' energy: -150.894
flat angles P-C4'-P energy: -86.581
tors. eta vs tors. theta energy: -204.629
Dist. restrs. and SS energy: 8.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2294.555032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.555032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.080963 (E_RNA)
where:
Base-Base interactions energy: -1677.180
where: short stacking energy: -693.911
Base-Backbone interact. energy: 0.164
local terms energy: -633.065225
where:
bonds (distance) C4'-P energy: -100.097
bonds (distance) P-C4' energy: -109.222
flat angles C4'-P-C4' energy: -131.557
flat angles P-C4'-P energy: -86.302
tors. eta vs tors. theta energy: -205.887
Dist. restrs. and SS energy: 15.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2166.297358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.297358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.970948 (E_RNA)
where:
Base-Base interactions energy: -1560.429
where: short stacking energy: -633.333
Base-Backbone interact. energy: 2.746
local terms energy: -623.288151
where:
bonds (distance) C4'-P energy: -109.676
bonds (distance) P-C4' energy: -123.111
flat angles C4'-P-C4' energy: -123.260
flat angles P-C4'-P energy: -87.938
tors. eta vs tors. theta energy: -179.304
Dist. restrs. and SS energy: 14.674 (S_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: 65
Temperature: 1.250000
Total energy: -2057.293234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.293234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.884729 (E_RNA)
where:
Base-Base interactions energy: -1493.685
where: short stacking energy: -573.069
Base-Backbone interact. energy: -0.551
local terms energy: -582.649108
where:
bonds (distance) C4'-P energy: -109.007
bonds (distance) P-C4' energy: -102.427
flat angles C4'-P-C4' energy: -120.493
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: -177.014
Dist. restrs. and SS energy: 19.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1861.131689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.131689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.045507 (E_RNA)
where:
Base-Base interactions energy: -1317.187
where: short stacking energy: -516.992
Base-Backbone interact. energy: -0.531
local terms energy: -576.327746
where:
bonds (distance) C4'-P energy: -113.886
bonds (distance) P-C4' energy: -119.523
flat angles C4'-P-C4' energy: -120.070
flat angles P-C4'-P energy: -81.397
tors. eta vs tors. theta energy: -141.452
Dist. restrs. and SS energy: 32.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1761.095232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.095232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.398980 (E_RNA)
where:
Base-Base interactions energy: -1257.415
where: short stacking energy: -502.374
Base-Backbone interact. energy: -0.817
local terms energy: -532.167187
where:
bonds (distance) C4'-P energy: -96.416
bonds (distance) P-C4' energy: -111.007
flat angles C4'-P-C4' energy: -117.091
flat angles P-C4'-P energy: -66.566
tors. eta vs tors. theta energy: -141.087
Dist. restrs. and SS energy: 29.304 (S_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: 66
Temperature: 0.900000
Total energy: -2691.004183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.004183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.671214 (E_RNA)
where:
Base-Base interactions energy: -1881.415
where: short stacking energy: -785.115
Base-Backbone interact. energy: -1.812
local terms energy: -817.444062
where:
bonds (distance) C4'-P energy: -147.029
bonds (distance) P-C4' energy: -150.335
flat angles C4'-P-C4' energy: -169.360
flat angles P-C4'-P energy: -120.905
tors. eta vs tors. theta energy: -229.816
Dist. restrs. and SS energy: 9.667 (S_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: 66
Temperature: 0.950000
Total energy: -2625.977783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.977783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.070630 (E_RNA)
where:
Base-Base interactions energy: -1826.836
where: short stacking energy: -770.302
Base-Backbone interact. energy: -4.040
local terms energy: -808.194745
where:
bonds (distance) C4'-P energy: -145.905
bonds (distance) P-C4' energy: -152.978
flat angles C4'-P-C4' energy: -157.115
flat angles P-C4'-P energy: -112.862
tors. eta vs tors. theta energy: -239.335
Dist. restrs. and SS energy: 13.093 (S_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: 66
Temperature: 1.000000
Total energy: -2575.605255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.605255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.873436 (E_RNA)
where:
Base-Base interactions energy: -1814.689
where: short stacking energy: -763.817
Base-Backbone interact. energy: -2.803
local terms energy: -767.381120
where:
bonds (distance) C4'-P energy: -130.820
bonds (distance) P-C4' energy: -126.023
flat angles C4'-P-C4' energy: -157.757
flat angles P-C4'-P energy: -113.731
tors. eta vs tors. theta energy: -239.049
Dist. restrs. and SS energy: 9.268 (S_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: 66
Temperature: 1.050000
Total energy: -2463.495457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.495457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.148645 (E_RNA)
where:
Base-Base interactions energy: -1755.001
where: short stacking energy: -711.747
Base-Backbone interact. energy: -1.851
local terms energy: -714.296991
where:
bonds (distance) C4'-P energy: -129.612
bonds (distance) P-C4' energy: -119.751
flat angles C4'-P-C4' energy: -155.117
flat angles P-C4'-P energy: -88.208
tors. eta vs tors. theta energy: -221.609
Dist. restrs. and SS energy: 7.653 (S_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: 66
Temperature: 1.100000
Total energy: -2422.455721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.455721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.245430 (E_RNA)
where:
Base-Base interactions energy: -1729.465
where: short stacking energy: -686.713
Base-Backbone interact. energy: -1.070
local terms energy: -698.709791
where:
bonds (distance) C4'-P energy: -131.133
bonds (distance) P-C4' energy: -114.534
flat angles C4'-P-C4' energy: -148.040
flat angles P-C4'-P energy: -107.205
tors. eta vs tors. theta energy: -197.799
Dist. restrs. and SS energy: 6.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2331.596440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.596440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.745582 (E_RNA)
where:
Base-Base interactions energy: -1646.193
where: short stacking energy: -684.080
Base-Backbone interact. energy: 1.887
local terms energy: -702.439520
where:
bonds (distance) C4'-P energy: -116.647
bonds (distance) P-C4' energy: -132.251
flat angles C4'-P-C4' energy: -149.178
flat angles P-C4'-P energy: -100.369
tors. eta vs tors. theta energy: -203.994
Dist. restrs. and SS energy: 15.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2179.470674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.470674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.139291 (E_RNA)
where:
Base-Base interactions energy: -1539.956
where: short stacking energy: -611.848
Base-Backbone interact. energy: 9.726
local terms energy: -670.909565
where:
bonds (distance) C4'-P energy: -125.828
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -131.356
flat angles P-C4'-P energy: -92.199
tors. eta vs tors. theta energy: -191.335
Dist. restrs. and SS energy: 21.669 (S_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: 66
Temperature: 1.250000
Total energy: -2021.403398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.403398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.373648 (E_RNA)
where:
Base-Base interactions energy: -1460.057
where: short stacking energy: -592.787
Base-Backbone interact. energy: -2.003
local terms energy: -585.314349
where:
bonds (distance) C4'-P energy: -115.016
bonds (distance) P-C4' energy: -95.160
flat angles C4'-P-C4' energy: -123.521
flat angles P-C4'-P energy: -75.306
tors. eta vs tors. theta energy: -176.312
Dist. restrs. and SS energy: 25.970 (S_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: 66
Temperature: 1.300000
Total energy: -1843.240621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.240621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.897904 (E_RNA)
where:
Base-Base interactions energy: -1313.590
where: short stacking energy: -515.100
Base-Backbone interact. energy: 1.609
local terms energy: -549.916886
where:
bonds (distance) C4'-P energy: -95.128
bonds (distance) P-C4' energy: -104.308
flat angles C4'-P-C4' energy: -120.271
flat angles P-C4'-P energy: -75.182
tors. eta vs tors. theta energy: -155.027
Dist. restrs. and SS energy: 18.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1811.177295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.177295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.431148 (E_RNA)
where:
Base-Base interactions energy: -1266.778
where: short stacking energy: -526.142
Base-Backbone interact. energy: 1.030
local terms energy: -570.682872
where:
bonds (distance) C4'-P energy: -102.593
bonds (distance) P-C4' energy: -111.951
flat angles C4'-P-C4' energy: -128.569
flat angles P-C4'-P energy: -73.998
tors. eta vs tors. theta energy: -153.573
Dist. restrs. and SS energy: 25.254 (S_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: 67
Temperature: 0.900000
Total energy: -2693.766952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.766952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.067674 (E_RNA)
where:
Base-Base interactions energy: -1918.028
where: short stacking energy: -786.280
Base-Backbone interact. energy: -6.696
local terms energy: -781.343246
where:
bonds (distance) C4'-P energy: -141.088
bonds (distance) P-C4' energy: -138.043
flat angles C4'-P-C4' energy: -152.364
flat angles P-C4'-P energy: -118.342
tors. eta vs tors. theta energy: -231.506
Dist. restrs. and SS energy: 12.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2616.046575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.046575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.181625 (E_RNA)
where:
Base-Base interactions energy: -1817.274
where: short stacking energy: -760.317
Base-Backbone interact. energy: -1.989
local terms energy: -809.917903
where:
bonds (distance) C4'-P energy: -129.943
bonds (distance) P-C4' energy: -144.654
flat angles C4'-P-C4' energy: -172.191
flat angles P-C4'-P energy: -123.779
tors. eta vs tors. theta energy: -239.351
Dist. restrs. and SS energy: 13.135 (S_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: 67
Temperature: 1.000000
Total energy: -2564.420498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.420498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.520333 (E_RNA)
where:
Base-Base interactions energy: -1798.094
where: short stacking energy: -754.553
Base-Backbone interact. energy: -1.281
local terms energy: -778.146146
where:
bonds (distance) C4'-P energy: -135.077
bonds (distance) P-C4' energy: -132.345
flat angles C4'-P-C4' energy: -164.889
flat angles P-C4'-P energy: -108.204
tors. eta vs tors. theta energy: -237.631
Dist. restrs. and SS energy: 13.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2464.092051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.092051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.287452 (E_RNA)
where:
Base-Base interactions energy: -1735.264
where: short stacking energy: -728.839
Base-Backbone interact. energy: 2.600
local terms energy: -743.623214
where:
bonds (distance) C4'-P energy: -140.008
bonds (distance) P-C4' energy: -124.408
flat angles C4'-P-C4' energy: -149.132
flat angles P-C4'-P energy: -107.987
tors. eta vs tors. theta energy: -222.088
Dist. restrs. and SS energy: 12.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2431.396366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.396366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.815804 (E_RNA)
where:
Base-Base interactions energy: -1782.902
where: short stacking energy: -705.025
Base-Backbone interact. energy: -2.095
local terms energy: -659.818853
where:
bonds (distance) C4'-P energy: -103.993
bonds (distance) P-C4' energy: -121.185
flat angles C4'-P-C4' energy: -138.361
flat angles P-C4'-P energy: -93.414
tors. eta vs tors. theta energy: -202.865
Dist. restrs. and SS energy: 13.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2241.146297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.146297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.828707 (E_RNA)
where:
Base-Base interactions energy: -1591.952
where: short stacking energy: -650.945
Base-Backbone interact. energy: -1.753
local terms energy: -669.123589
where:
bonds (distance) C4'-P energy: -109.036
bonds (distance) P-C4' energy: -127.533
flat angles C4'-P-C4' energy: -142.742
flat angles P-C4'-P energy: -88.348
tors. eta vs tors. theta energy: -201.465
Dist. restrs. and SS energy: 21.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2267.338467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.338467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.828803 (E_RNA)
where:
Base-Base interactions energy: -1646.746
where: short stacking energy: -651.438
Base-Backbone interact. energy: 1.014
local terms energy: -643.096721
where:
bonds (distance) C4'-P energy: -107.131
bonds (distance) P-C4' energy: -112.799
flat angles C4'-P-C4' energy: -136.418
flat angles P-C4'-P energy: -91.183
tors. eta vs tors. theta energy: -195.566
Dist. restrs. and SS energy: 21.490 (S_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: 67
Temperature: 1.250000
Total energy: -2042.942157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.942157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.950062 (E_RNA)
where:
Base-Base interactions energy: -1440.534
where: short stacking energy: -572.742
Base-Backbone interact. energy: -0.793
local terms energy: -617.623017
where:
bonds (distance) C4'-P energy: -104.704
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -140.710
flat angles P-C4'-P energy: -80.107
tors. eta vs tors. theta energy: -189.819
Dist. restrs. and SS energy: 16.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1845.778176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.778176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.295370 (E_RNA)
where:
Base-Base interactions energy: -1295.377
where: short stacking energy: -511.348
Base-Backbone interact. energy: -3.950
local terms energy: -574.968812
where:
bonds (distance) C4'-P energy: -115.628
bonds (distance) P-C4' energy: -114.505
flat angles C4'-P-C4' energy: -135.828
flat angles P-C4'-P energy: -66.450
tors. eta vs tors. theta energy: -142.558
Dist. restrs. and SS energy: 28.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1847.393445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.393445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.212778 (E_RNA)
where:
Base-Base interactions energy: -1308.997
where: short stacking energy: -522.575
Base-Backbone interact. energy: -1.930
local terms energy: -563.285995
where:
bonds (distance) C4'-P energy: -105.469
bonds (distance) P-C4' energy: -98.841
flat angles C4'-P-C4' energy: -125.529
flat angles P-C4'-P energy: -94.198
tors. eta vs tors. theta energy: -139.250
Dist. restrs. and SS energy: 26.819 (S_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: 68
Temperature: 0.900000
Total energy: -2693.570206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.570206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.259463 (E_RNA)
where:
Base-Base interactions energy: -1898.898
where: short stacking energy: -785.724
Base-Backbone interact. energy: -1.333
local terms energy: -808.028543
where:
bonds (distance) C4'-P energy: -154.017
bonds (distance) P-C4' energy: -149.284
flat angles C4'-P-C4' energy: -160.186
flat angles P-C4'-P energy: -113.042
tors. eta vs tors. theta energy: -231.499
Dist. restrs. and SS energy: 14.689 (S_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: 68
Temperature: 0.950000
Total energy: -2626.006611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.006611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.902582 (E_RNA)
where:
Base-Base interactions energy: -1859.501
where: short stacking energy: -781.577
Base-Backbone interact. energy: -2.402
local terms energy: -777.999624
where:
bonds (distance) C4'-P energy: -143.699
bonds (distance) P-C4' energy: -141.216
flat angles C4'-P-C4' energy: -153.331
flat angles P-C4'-P energy: -102.785
tors. eta vs tors. theta energy: -236.969
Dist. restrs. and SS energy: 13.896 (S_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: -2547.604969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.604969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.948856 (E_RNA)
where:
Base-Base interactions energy: -1796.669
where: short stacking energy: -745.408
Base-Backbone interact. energy: -2.284
local terms energy: -754.996296
where:
bonds (distance) C4'-P energy: -118.565
bonds (distance) P-C4' energy: -141.261
flat angles C4'-P-C4' energy: -155.418
flat angles P-C4'-P energy: -103.441
tors. eta vs tors. theta energy: -236.310
Dist. restrs. and SS energy: 6.344 (S_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: 68
Temperature: 1.050000
Total energy: -2454.742519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.742519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.479090 (E_RNA)
where:
Base-Base interactions energy: -1735.301
where: short stacking energy: -709.219
Base-Backbone interact. energy: -0.893
local terms energy: -729.284631
where:
bonds (distance) C4'-P energy: -122.003
bonds (distance) P-C4' energy: -138.318
flat angles C4'-P-C4' energy: -153.581
flat angles P-C4'-P energy: -91.521
tors. eta vs tors. theta energy: -223.861
Dist. restrs. and SS energy: 10.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2393.911780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.911780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.441064 (E_RNA)
where:
Base-Base interactions energy: -1725.556
where: short stacking energy: -696.371
Base-Backbone interact. energy: 0.208
local terms energy: -680.093964
where:
bonds (distance) C4'-P energy: -129.800
bonds (distance) P-C4' energy: -112.862
flat angles C4'-P-C4' energy: -139.391
flat angles P-C4'-P energy: -88.494
tors. eta vs tors. theta energy: -209.548
Dist. restrs. and SS energy: 11.529 (S_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: -2286.647752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.647752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.406265 (E_RNA)
where:
Base-Base interactions energy: -1625.237
where: short stacking energy: -659.009
Base-Backbone interact. energy: 2.533
local terms energy: -683.702140
where:
bonds (distance) C4'-P energy: -118.947
bonds (distance) P-C4' energy: -118.174
flat angles C4'-P-C4' energy: -139.646
flat angles P-C4'-P energy: -94.079
tors. eta vs tors. theta energy: -212.856
Dist. restrs. and SS energy: 19.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2241.199310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.199310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.340436 (E_RNA)
where:
Base-Base interactions energy: -1609.848
where: short stacking energy: -647.273
Base-Backbone interact. energy: -1.541
local terms energy: -641.952049
where:
bonds (distance) C4'-P energy: -108.167
bonds (distance) P-C4' energy: -113.403
flat angles C4'-P-C4' energy: -146.892
flat angles P-C4'-P energy: -86.648
tors. eta vs tors. theta energy: -186.842
Dist. restrs. and SS energy: 12.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2050.035488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.035488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.073166 (E_RNA)
where:
Base-Base interactions energy: -1441.561
where: short stacking energy: -597.665
Base-Backbone interact. energy: -1.971
local terms energy: -625.541139
where:
bonds (distance) C4'-P energy: -110.435
bonds (distance) P-C4' energy: -129.817
flat angles C4'-P-C4' energy: -132.502
flat angles P-C4'-P energy: -68.169
tors. eta vs tors. theta energy: -184.618
Dist. restrs. and SS energy: 19.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1807.063714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.063714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.023924 (E_RNA)
where:
Base-Base interactions energy: -1296.044
where: short stacking energy: -548.762
Base-Backbone interact. energy: 1.355
local terms energy: -555.335472
where:
bonds (distance) C4'-P energy: -81.859
bonds (distance) P-C4' energy: -122.006
flat angles C4'-P-C4' energy: -132.907
flat angles P-C4'-P energy: -75.747
tors. eta vs tors. theta energy: -142.817
Dist. restrs. and SS energy: 42.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1854.441256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.441256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.161810 (E_RNA)
where:
Base-Base interactions energy: -1342.117
where: short stacking energy: -540.086
Base-Backbone interact. energy: -1.323
local terms energy: -533.721520
where:
bonds (distance) C4'-P energy: -96.160
bonds (distance) P-C4' energy: -105.438
flat angles C4'-P-C4' energy: -106.717
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -154.448
Dist. restrs. and SS energy: 22.721 (S_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: 69
Temperature: 0.900000
Total energy: -2677.513914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.513914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.677568 (E_RNA)
where:
Base-Base interactions energy: -1894.413
where: short stacking energy: -792.906
Base-Backbone interact. energy: -1.539
local terms energy: -790.725972
where:
bonds (distance) C4'-P energy: -133.913
bonds (distance) P-C4' energy: -143.207
flat angles C4'-P-C4' energy: -162.342
flat angles P-C4'-P energy: -117.163
tors. eta vs tors. theta energy: -234.101
Dist. restrs. and SS energy: 9.164 (S_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: 69
Temperature: 0.950000
Total energy: -2640.576071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.576071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.448366 (E_RNA)
where:
Base-Base interactions energy: -1889.578
where: short stacking energy: -787.055
Base-Backbone interact. energy: 0.469
local terms energy: -765.339458
where:
bonds (distance) C4'-P energy: -129.575
bonds (distance) P-C4' energy: -134.255
flat angles C4'-P-C4' energy: -158.182
flat angles P-C4'-P energy: -104.265
tors. eta vs tors. theta energy: -239.061
Dist. restrs. and SS energy: 13.872 (S_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: 69
Temperature: 1.000000
Total energy: -2561.871477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.871477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.072512 (E_RNA)
where:
Base-Base interactions energy: -1815.435
where: short stacking energy: -747.252
Base-Backbone interact. energy: -1.229
local terms energy: -753.408592
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -134.545
flat angles C4'-P-C4' energy: -156.162
flat angles P-C4'-P energy: -99.051
tors. eta vs tors. theta energy: -238.130
Dist. restrs. and SS energy: 8.201 (S_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: 69
Temperature: 1.050000
Total energy: -2483.034511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.034511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.301978 (E_RNA)
where:
Base-Base interactions energy: -1763.485
where: short stacking energy: -714.748
Base-Backbone interact. energy: 2.152
local terms energy: -732.969729
where:
bonds (distance) C4'-P energy: -121.226
bonds (distance) P-C4' energy: -142.393
flat angles C4'-P-C4' energy: -154.276
flat angles P-C4'-P energy: -93.628
tors. eta vs tors. theta energy: -221.447
Dist. restrs. and SS energy: 11.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2379.344160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.344160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.385239 (E_RNA)
where:
Base-Base interactions energy: -1709.412
where: short stacking energy: -678.795
Base-Backbone interact. energy: -2.508
local terms energy: -681.465733
where:
bonds (distance) C4'-P energy: -130.650
bonds (distance) P-C4' energy: -121.579
flat angles C4'-P-C4' energy: -135.968
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -201.881
Dist. restrs. and SS energy: 14.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2313.093215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.093215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.352284 (E_RNA)
where:
Base-Base interactions energy: -1632.271
where: short stacking energy: -663.047
Base-Backbone interact. energy: -0.432
local terms energy: -698.649605
where:
bonds (distance) C4'-P energy: -114.338
bonds (distance) P-C4' energy: -127.291
flat angles C4'-P-C4' energy: -156.703
flat angles P-C4'-P energy: -89.775
tors. eta vs tors. theta energy: -210.542
Dist. restrs. and SS energy: 18.259 (S_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: -2235.897468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.897468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.557574 (E_RNA)
where:
Base-Base interactions energy: -1592.091
where: short stacking energy: -653.409
Base-Backbone interact. energy: -3.347
local terms energy: -661.119839
where:
bonds (distance) C4'-P energy: -122.738
bonds (distance) P-C4' energy: -115.191
flat angles C4'-P-C4' energy: -123.661
flat angles P-C4'-P energy: -103.124
tors. eta vs tors. theta energy: -196.405
Dist. restrs. and SS energy: 20.660 (S_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: 69
Temperature: 1.250000
Total energy: -2090.154739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.154739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.701674 (E_RNA)
where:
Base-Base interactions energy: -1488.916
where: short stacking energy: -597.646
Base-Backbone interact. energy: -0.022
local terms energy: -627.763953
where:
bonds (distance) C4'-P energy: -101.731
bonds (distance) P-C4' energy: -113.103
flat angles C4'-P-C4' energy: -128.289
flat angles P-C4'-P energy: -93.571
tors. eta vs tors. theta energy: -191.070
Dist. restrs. and SS energy: 26.547 (S_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: 69
Temperature: 1.300000
Total energy: -1766.830990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.830990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.890148 (E_RNA)
where:
Base-Base interactions energy: -1253.211
where: short stacking energy: -524.594
Base-Backbone interact. energy: -0.109
local terms energy: -554.569584
where:
bonds (distance) C4'-P energy: -91.617
bonds (distance) P-C4' energy: -107.117
flat angles C4'-P-C4' energy: -134.774
flat angles P-C4'-P energy: -73.363
tors. eta vs tors. theta energy: -147.698
Dist. restrs. and SS energy: 41.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1826.158222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.158222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.509293 (E_RNA)
where:
Base-Base interactions energy: -1316.024
where: short stacking energy: -530.078
Base-Backbone interact. energy: 0.057
local terms energy: -539.542967
where:
bonds (distance) C4'-P energy: -87.642
bonds (distance) P-C4' energy: -111.687
flat angles C4'-P-C4' energy: -119.744
flat angles P-C4'-P energy: -72.162
tors. eta vs tors. theta energy: -148.308
Dist. restrs. and SS energy: 29.351 (S_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: 70
Temperature: 0.900000
Total energy: -2679.554822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.554822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.885403 (E_RNA)
where:
Base-Base interactions energy: -1911.507
where: short stacking energy: -767.584
Base-Backbone interact. energy: -1.643
local terms energy: -777.735720
where:
bonds (distance) C4'-P energy: -130.506
bonds (distance) P-C4' energy: -145.869
flat angles C4'-P-C4' energy: -163.837
flat angles P-C4'-P energy: -104.314
tors. eta vs tors. theta energy: -233.210
Dist. restrs. and SS energy: 11.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2625.946569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.946569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.750010 (E_RNA)
where:
Base-Base interactions energy: -1849.527
where: short stacking energy: -756.635
Base-Backbone interact. energy: -2.637
local terms energy: -785.585959
where:
bonds (distance) C4'-P energy: -139.574
bonds (distance) P-C4' energy: -145.831
flat angles C4'-P-C4' energy: -163.998
flat angles P-C4'-P energy: -108.216
tors. eta vs tors. theta energy: -227.966
Dist. restrs. and SS energy: 11.803 (S_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: 70
Temperature: 1.000000
Total energy: -2557.428537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.428537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.191752 (E_RNA)
where:
Base-Base interactions energy: -1799.059
where: short stacking energy: -756.301
Base-Backbone interact. energy: -2.187
local terms energy: -764.945594
where:
bonds (distance) C4'-P energy: -119.361
bonds (distance) P-C4' energy: -138.483
flat angles C4'-P-C4' energy: -159.371
flat angles P-C4'-P energy: -113.373
tors. eta vs tors. theta energy: -234.358
Dist. restrs. and SS energy: 8.763 (S_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: 70
Temperature: 1.050000
Total energy: -2459.511125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.511125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.551080 (E_RNA)
where:
Base-Base interactions energy: -1727.289
where: short stacking energy: -708.438
Base-Backbone interact. energy: -1.198
local terms energy: -747.064025
where:
bonds (distance) C4'-P energy: -134.969
bonds (distance) P-C4' energy: -142.963
flat angles C4'-P-C4' energy: -148.215
flat angles P-C4'-P energy: -96.727
tors. eta vs tors. theta energy: -224.189
Dist. restrs. and SS energy: 16.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2353.881316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.881316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.456431 (E_RNA)
where:
Base-Base interactions energy: -1645.560
where: short stacking energy: -672.751
Base-Backbone interact. energy: -1.728
local terms energy: -719.168488
where:
bonds (distance) C4'-P energy: -129.820
bonds (distance) P-C4' energy: -142.439
flat angles C4'-P-C4' energy: -144.797
flat angles P-C4'-P energy: -99.031
tors. eta vs tors. theta energy: -203.080
Dist. restrs. and SS energy: 12.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2368.465617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.465617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.971959 (E_RNA)
where:
Base-Base interactions energy: -1695.961
where: short stacking energy: -688.162
Base-Backbone interact. energy: -2.209
local terms energy: -677.801331
where:
bonds (distance) C4'-P energy: -122.545
bonds (distance) P-C4' energy: -111.465
flat angles C4'-P-C4' energy: -145.629
flat angles P-C4'-P energy: -91.651
tors. eta vs tors. theta energy: -206.512
Dist. restrs. and SS energy: 7.506 (S_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: -2174.443598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.443598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.196269 (E_RNA)
where:
Base-Base interactions energy: -1564.108
where: short stacking energy: -613.603
Base-Backbone interact. energy: 6.662
local terms energy: -642.750527
where:
bonds (distance) C4'-P energy: -120.805
bonds (distance) P-C4' energy: -113.729
flat angles C4'-P-C4' energy: -131.311
flat angles P-C4'-P energy: -92.053
tors. eta vs tors. theta energy: -184.853
Dist. restrs. and SS energy: 25.753 (S_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: 70
Temperature: 1.250000
Total energy: -2066.974639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.974639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.245168 (E_RNA)
where:
Base-Base interactions energy: -1467.716
where: short stacking energy: -590.572
Base-Backbone interact. energy: -2.452
local terms energy: -617.077447
where:
bonds (distance) C4'-P energy: -92.832
bonds (distance) P-C4' energy: -127.058
flat angles C4'-P-C4' energy: -127.287
flat angles P-C4'-P energy: -102.565
tors. eta vs tors. theta energy: -167.335
Dist. restrs. and SS energy: 20.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1934.246650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.246650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.990812 (E_RNA)
where:
Base-Base interactions energy: -1367.641
where: short stacking energy: -558.069
Base-Backbone interact. energy: 1.332
local terms energy: -588.681984
where:
bonds (distance) C4'-P energy: -106.359
bonds (distance) P-C4' energy: -108.011
flat angles C4'-P-C4' energy: -135.891
flat angles P-C4'-P energy: -72.645
tors. eta vs tors. theta energy: -165.776
Dist. restrs. and SS energy: 20.744 (S_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: 70
Temperature: 1.350000
Total energy: -1718.818216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.818216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.972913 (E_RNA)
where:
Base-Base interactions energy: -1228.165
where: short stacking energy: -481.400
Base-Backbone interact. energy: -1.340
local terms energy: -531.467977
where:
bonds (distance) C4'-P energy: -105.674
bonds (distance) P-C4' energy: -112.609
flat angles C4'-P-C4' energy: -119.951
flat angles P-C4'-P energy: -58.835
tors. eta vs tors. theta energy: -134.398
Dist. restrs. and SS energy: 42.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2675.560405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.560405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.153496 (E_RNA)
where:
Base-Base interactions energy: -1897.525
where: short stacking energy: -792.254
Base-Backbone interact. energy: -4.527
local terms energy: -784.101546
where:
bonds (distance) C4'-P energy: -134.057
bonds (distance) P-C4' energy: -130.688
flat angles C4'-P-C4' energy: -167.229
flat angles P-C4'-P energy: -113.630
tors. eta vs tors. theta energy: -238.498
Dist. restrs. and SS energy: 10.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2641.846209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.846209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.992377 (E_RNA)
where:
Base-Base interactions energy: -1863.756
where: short stacking energy: -768.741
Base-Backbone interact. energy: -3.416
local terms energy: -785.820827
where:
bonds (distance) C4'-P energy: -130.397
bonds (distance) P-C4' energy: -143.073
flat angles C4'-P-C4' energy: -169.655
flat angles P-C4'-P energy: -106.413
tors. eta vs tors. theta energy: -236.283
Dist. restrs. and SS energy: 11.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2576.838271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.838271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.950915 (E_RNA)
where:
Base-Base interactions energy: -1831.063
where: short stacking energy: -741.606
Base-Backbone interact. energy: -1.688
local terms energy: -753.199468
where:
bonds (distance) C4'-P energy: -130.251
bonds (distance) P-C4' energy: -132.212
flat angles C4'-P-C4' energy: -152.507
flat angles P-C4'-P energy: -108.901
tors. eta vs tors. theta energy: -229.328
Dist. restrs. and SS energy: 9.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2454.388634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.388634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.652345 (E_RNA)
where:
Base-Base interactions energy: -1723.410
where: short stacking energy: -722.194
Base-Backbone interact. energy: 1.541
local terms energy: -746.783662
where:
bonds (distance) C4'-P energy: -138.074
bonds (distance) P-C4' energy: -135.156
flat angles C4'-P-C4' energy: -152.462
flat angles P-C4'-P energy: -106.811
tors. eta vs tors. theta energy: -214.281
Dist. restrs. and SS energy: 14.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2350.728295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.728295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.973452 (E_RNA)
where:
Base-Base interactions energy: -1646.882
where: short stacking energy: -666.622
Base-Backbone interact. energy: -0.880
local terms energy: -711.212247
where:
bonds (distance) C4'-P energy: -130.086
bonds (distance) P-C4' energy: -122.298
flat angles C4'-P-C4' energy: -145.020
flat angles P-C4'-P energy: -111.343
tors. eta vs tors. theta energy: -202.466
Dist. restrs. and SS energy: 8.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2341.511313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.511313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.529134 (E_RNA)
where:
Base-Base interactions energy: -1674.839
where: short stacking energy: -676.253
Base-Backbone interact. energy: -2.195
local terms energy: -669.494504
where:
bonds (distance) C4'-P energy: -117.360
bonds (distance) P-C4' energy: -119.272
flat angles C4'-P-C4' energy: -147.650
flat angles P-C4'-P energy: -89.763
tors. eta vs tors. theta energy: -195.449
Dist. restrs. and SS energy: 5.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2199.334939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.334939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.631888 (E_RNA)
where:
Base-Base interactions energy: -1571.028
where: short stacking energy: -633.591
Base-Backbone interact. energy: -2.628
local terms energy: -656.975604
where:
bonds (distance) C4'-P energy: -131.861
bonds (distance) P-C4' energy: -106.834
flat angles C4'-P-C4' energy: -145.559
flat angles P-C4'-P energy: -76.540
tors. eta vs tors. theta energy: -196.182
Dist. restrs. and SS energy: 31.297 (S_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: 71
Temperature: 1.250000
Total energy: -2084.038313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.038313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.115909 (E_RNA)
where:
Base-Base interactions energy: -1461.708
where: short stacking energy: -583.259
Base-Backbone interact. energy: -1.380
local terms energy: -640.027278
where:
bonds (distance) C4'-P energy: -105.789
bonds (distance) P-C4' energy: -122.868
flat angles C4'-P-C4' energy: -137.970
flat angles P-C4'-P energy: -101.002
tors. eta vs tors. theta energy: -172.398
Dist. restrs. and SS energy: 19.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1993.286289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.286289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.068714 (E_RNA)
where:
Base-Base interactions energy: -1409.697
where: short stacking energy: -568.993
Base-Backbone interact. energy: -1.364
local terms energy: -601.008139
where:
bonds (distance) C4'-P energy: -105.379
bonds (distance) P-C4' energy: -125.358
flat angles C4'-P-C4' energy: -119.680
flat angles P-C4'-P energy: -72.407
tors. eta vs tors. theta energy: -178.184
Dist. restrs. and SS energy: 18.782 (S_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: 71
Temperature: 1.350000
Total energy: -1768.224053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.224053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.437159 (E_RNA)
where:
Base-Base interactions energy: -1252.033
where: short stacking energy: -482.094
Base-Backbone interact. energy: -2.796
local terms energy: -549.607991
where:
bonds (distance) C4'-P energy: -104.839
bonds (distance) P-C4' energy: -102.831
flat angles C4'-P-C4' energy: -128.930
flat angles P-C4'-P energy: -62.518
tors. eta vs tors. theta energy: -150.491
Dist. restrs. and SS energy: 36.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2692.417503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.417503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.028694 (E_RNA)
where:
Base-Base interactions energy: -1897.990
where: short stacking energy: -782.191
Base-Backbone interact. energy: -0.219
local terms energy: -803.819783
where:
bonds (distance) C4'-P energy: -134.571
bonds (distance) P-C4' energy: -157.830
flat angles C4'-P-C4' energy: -167.206
flat angles P-C4'-P energy: -112.024
tors. eta vs tors. theta energy: -232.188
Dist. restrs. and SS energy: 9.611 (S_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: 72
Temperature: 0.950000
Total energy: -2605.892910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.892910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.208852 (E_RNA)
where:
Base-Base interactions energy: -1821.454
where: short stacking energy: -741.926
Base-Backbone interact. energy: -1.696
local terms energy: -794.058427
where:
bonds (distance) C4'-P energy: -135.492
bonds (distance) P-C4' energy: -132.875
flat angles C4'-P-C4' energy: -166.605
flat angles P-C4'-P energy: -130.543
tors. eta vs tors. theta energy: -228.543
Dist. restrs. and SS energy: 11.316 (S_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: -2516.096129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.096129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.826375 (E_RNA)
where:
Base-Base interactions energy: -1769.995
where: short stacking energy: -710.338
Base-Backbone interact. energy: -0.466
local terms energy: -749.365047
where:
bonds (distance) C4'-P energy: -140.021
bonds (distance) P-C4' energy: -129.093
flat angles C4'-P-C4' energy: -142.020
flat angles P-C4'-P energy: -111.093
tors. eta vs tors. theta energy: -227.139
Dist. restrs. and SS energy: 3.730 (S_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: 72
Temperature: 1.050000
Total energy: -2455.878435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.878435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.641158 (E_RNA)
where:
Base-Base interactions energy: -1731.596
where: short stacking energy: -694.767
Base-Backbone interact. energy: -3.963
local terms energy: -735.082544
where:
bonds (distance) C4'-P energy: -122.633
bonds (distance) P-C4' energy: -131.427
flat angles C4'-P-C4' energy: -158.675
flat angles P-C4'-P energy: -103.843
tors. eta vs tors. theta energy: -218.505
Dist. restrs. and SS energy: 14.763 (S_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: 72
Temperature: 1.100000
Total energy: -2369.082074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.082074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.044920 (E_RNA)
where:
Base-Base interactions energy: -1649.168
where: short stacking energy: -676.933
Base-Backbone interact. energy: -1.849
local terms energy: -733.027861
where:
bonds (distance) C4'-P energy: -132.514
bonds (distance) P-C4' energy: -148.769
flat angles C4'-P-C4' energy: -156.879
flat angles P-C4'-P energy: -84.990
tors. eta vs tors. theta energy: -209.876
Dist. restrs. and SS energy: 14.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2338.149030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.149030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.593071 (E_RNA)
where:
Base-Base interactions energy: -1693.366
where: short stacking energy: -664.963
Base-Backbone interact. energy: -1.152
local terms energy: -651.075949
where:
bonds (distance) C4'-P energy: -98.785
bonds (distance) P-C4' energy: -125.980
flat angles C4'-P-C4' energy: -136.149
flat angles P-C4'-P energy: -100.427
tors. eta vs tors. theta energy: -189.735
Dist. restrs. and SS energy: 7.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2215.115386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.115386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.646897 (E_RNA)
where:
Base-Base interactions energy: -1558.677
where: short stacking energy: -616.002
Base-Backbone interact. energy: 0.140
local terms energy: -680.109568
where:
bonds (distance) C4'-P energy: -107.827
bonds (distance) P-C4' energy: -135.976
flat angles C4'-P-C4' energy: -153.869
flat angles P-C4'-P energy: -90.621
tors. eta vs tors. theta energy: -191.816
Dist. restrs. and SS energy: 23.532 (S_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: 72
Temperature: 1.250000
Total energy: -2075.618936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.618936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.291051 (E_RNA)
where:
Base-Base interactions energy: -1493.906
where: short stacking energy: -613.720
Base-Backbone interact. energy: -0.230
local terms energy: -596.154921
where:
bonds (distance) C4'-P energy: -100.208
bonds (distance) P-C4' energy: -110.567
flat angles C4'-P-C4' energy: -126.448
flat angles P-C4'-P energy: -90.360
tors. eta vs tors. theta energy: -168.573
Dist. restrs. and SS energy: 14.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1974.654577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.654577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.761276 (E_RNA)
where:
Base-Base interactions energy: -1409.428
where: short stacking energy: -574.588
Base-Backbone interact. energy: 1.193
local terms energy: -591.527068
where:
bonds (distance) C4'-P energy: -101.649
bonds (distance) P-C4' energy: -113.167
flat angles C4'-P-C4' energy: -129.832
flat angles P-C4'-P energy: -74.067
tors. eta vs tors. theta energy: -172.812
Dist. restrs. and SS energy: 25.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1776.866129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.866129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.631658 (E_RNA)
where:
Base-Base interactions energy: -1296.883
where: short stacking energy: -530.835
Base-Backbone interact. energy: 1.768
local terms energy: -525.516254
where:
bonds (distance) C4'-P energy: -106.519
bonds (distance) P-C4' energy: -89.270
flat angles C4'-P-C4' energy: -128.228
flat angles P-C4'-P energy: -57.579
tors. eta vs tors. theta energy: -143.920
Dist. restrs. and SS energy: 43.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2680.182944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.182944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.488590 (E_RNA)
where:
Base-Base interactions energy: -1877.581
where: short stacking energy: -772.141
Base-Backbone interact. energy: -2.605
local terms energy: -811.302607
where:
bonds (distance) C4'-P energy: -139.315
bonds (distance) P-C4' energy: -142.564
flat angles C4'-P-C4' energy: -168.281
flat angles P-C4'-P energy: -122.015
tors. eta vs tors. theta energy: -239.128
Dist. restrs. and SS energy: 11.306 (S_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: 73
Temperature: 0.950000
Total energy: -2638.870022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.870022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.258880 (E_RNA)
where:
Base-Base interactions energy: -1861.849
where: short stacking energy: -780.604
Base-Backbone interact. energy: -2.909
local terms energy: -784.500800
where:
bonds (distance) C4'-P energy: -117.581
bonds (distance) P-C4' energy: -142.947
flat angles C4'-P-C4' energy: -170.343
flat angles P-C4'-P energy: -111.381
tors. eta vs tors. theta energy: -242.250
Dist. restrs. and SS energy: 10.389 (S_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: -2550.888003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.888003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.458804 (E_RNA)
where:
Base-Base interactions energy: -1839.875
where: short stacking energy: -729.577
Base-Backbone interact. energy: -3.120
local terms energy: -714.464386
where:
bonds (distance) C4'-P energy: -115.463
bonds (distance) P-C4' energy: -122.196
flat angles C4'-P-C4' energy: -150.722
flat angles P-C4'-P energy: -101.477
tors. eta vs tors. theta energy: -224.606
Dist. restrs. and SS energy: 6.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2451.530409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.530409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.576622 (E_RNA)
where:
Base-Base interactions energy: -1722.163
where: short stacking energy: -708.538
Base-Backbone interact. energy: -1.993
local terms energy: -738.420285
where:
bonds (distance) C4'-P energy: -126.779
bonds (distance) P-C4' energy: -124.115
flat angles C4'-P-C4' energy: -151.664
flat angles P-C4'-P energy: -118.187
tors. eta vs tors. theta energy: -217.675
Dist. restrs. and SS energy: 11.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2384.787165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.787165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.598305 (E_RNA)
where:
Base-Base interactions energy: -1688.193
where: short stacking energy: -690.197
Base-Backbone interact. energy: -0.835
local terms energy: -708.569749
where:
bonds (distance) C4'-P energy: -114.205
bonds (distance) P-C4' energy: -149.029
flat angles C4'-P-C4' energy: -145.218
flat angles P-C4'-P energy: -90.476
tors. eta vs tors. theta energy: -209.641
Dist. restrs. and SS energy: 12.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2357.688760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.688760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.461993 (E_RNA)
where:
Base-Base interactions energy: -1681.397
where: short stacking energy: -680.720
Base-Backbone interact. energy: 1.397
local terms energy: -682.461720
where:
bonds (distance) C4'-P energy: -101.539
bonds (distance) P-C4' energy: -129.649
flat angles C4'-P-C4' energy: -151.337
flat angles P-C4'-P energy: -104.606
tors. eta vs tors. theta energy: -195.332
Dist. restrs. and SS energy: 4.773 (S_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: 73
Temperature: 1.200000
Total energy: -2180.050102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.050102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.413200 (E_RNA)
where:
Base-Base interactions energy: -1566.848
where: short stacking energy: -637.697
Base-Backbone interact. energy: -1.192
local terms energy: -631.372801
where:
bonds (distance) C4'-P energy: -108.862
bonds (distance) P-C4' energy: -104.365
flat angles C4'-P-C4' energy: -141.168
flat angles P-C4'-P energy: -89.998
tors. eta vs tors. theta energy: -186.980
Dist. restrs. and SS energy: 19.363 (S_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: 73
Temperature: 1.250000
Total energy: -2123.668588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.668588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.857601 (E_RNA)
where:
Base-Base interactions energy: -1490.643
where: short stacking energy: -600.408
Base-Backbone interact. energy: -0.629
local terms energy: -651.585251
where:
bonds (distance) C4'-P energy: -119.700
bonds (distance) P-C4' energy: -118.376
flat angles C4'-P-C4' energy: -134.723
flat angles P-C4'-P energy: -90.541
tors. eta vs tors. theta energy: -188.245
Dist. restrs. and SS energy: 19.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1947.262860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.262860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.046211 (E_RNA)
where:
Base-Base interactions energy: -1348.910
where: short stacking energy: -532.265
Base-Backbone interact. energy: -0.722
local terms energy: -617.414880
where:
bonds (distance) C4'-P energy: -135.472
bonds (distance) P-C4' energy: -131.034
flat angles C4'-P-C4' energy: -113.193
flat angles P-C4'-P energy: -75.034
tors. eta vs tors. theta energy: -162.682
Dist. restrs. and SS energy: 19.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1788.102020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.102020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.567966 (E_RNA)
where:
Base-Base interactions energy: -1269.247
where: short stacking energy: -501.098
Base-Backbone interact. energy: -0.171
local terms energy: -551.149921
where:
bonds (distance) C4'-P energy: -103.960
bonds (distance) P-C4' energy: -108.371
flat angles C4'-P-C4' energy: -126.107
flat angles P-C4'-P energy: -65.599
tors. eta vs tors. theta energy: -147.114
Dist. restrs. and SS energy: 32.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2719.335399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.335399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.474194 (E_RNA)
where:
Base-Base interactions energy: -1925.465
where: short stacking energy: -823.959
Base-Backbone interact. energy: -0.082
local terms energy: -803.927430
where:
bonds (distance) C4'-P energy: -130.025
bonds (distance) P-C4' energy: -150.934
flat angles C4'-P-C4' energy: -152.222
flat angles P-C4'-P energy: -123.670
tors. eta vs tors. theta energy: -247.077
Dist. restrs. and SS energy: 10.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2611.440789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.440789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.305358 (E_RNA)
where:
Base-Base interactions energy: -1848.040
where: short stacking energy: -767.621
Base-Backbone interact. energy: -1.495
local terms energy: -773.770913
where:
bonds (distance) C4'-P energy: -128.032
bonds (distance) P-C4' energy: -137.008
flat angles C4'-P-C4' energy: -169.086
flat angles P-C4'-P energy: -109.876
tors. eta vs tors. theta energy: -229.770
Dist. restrs. and SS energy: 11.865 (S_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: -2570.446402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.446402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.765588 (E_RNA)
where:
Base-Base interactions energy: -1821.665
where: short stacking energy: -756.417
Base-Backbone interact. energy: -0.306
local terms energy: -759.795041
where:
bonds (distance) C4'-P energy: -144.774
bonds (distance) P-C4' energy: -131.711
flat angles C4'-P-C4' energy: -149.750
flat angles P-C4'-P energy: -103.337
tors. eta vs tors. theta energy: -230.223
Dist. restrs. and SS energy: 11.319 (S_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: -2481.396823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.396823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.752943 (E_RNA)
where:
Base-Base interactions energy: -1768.270
where: short stacking energy: -727.533
Base-Backbone interact. energy: -2.165
local terms energy: -723.318731
where:
bonds (distance) C4'-P energy: -114.771
bonds (distance) P-C4' energy: -132.077
flat angles C4'-P-C4' energy: -149.582
flat angles P-C4'-P energy: -102.900
tors. eta vs tors. theta energy: -223.989
Dist. restrs. and SS energy: 12.356 (S_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: 74
Temperature: 1.100000
Total energy: -2396.971666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.971666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.487374 (E_RNA)
where:
Base-Base interactions energy: -1691.097
where: short stacking energy: -682.693
Base-Backbone interact. energy: -1.179
local terms energy: -714.211945
where:
bonds (distance) C4'-P energy: -148.033
bonds (distance) P-C4' energy: -121.280
flat angles C4'-P-C4' energy: -146.407
flat angles P-C4'-P energy: -92.365
tors. eta vs tors. theta energy: -206.127
Dist. restrs. and SS energy: 9.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2340.043229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.043229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.219980 (E_RNA)
where:
Base-Base interactions energy: -1689.470
where: short stacking energy: -680.690
Base-Backbone interact. energy: -4.235
local terms energy: -658.514890
where:
bonds (distance) C4'-P energy: -125.583
bonds (distance) P-C4' energy: -114.442
flat angles C4'-P-C4' energy: -133.694
flat angles P-C4'-P energy: -85.585
tors. eta vs tors. theta energy: -199.211
Dist. restrs. and SS energy: 12.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2194.212325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.212325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.536217 (E_RNA)
where:
Base-Base interactions energy: -1575.230
where: short stacking energy: -640.179
Base-Backbone interact. energy: -3.213
local terms energy: -641.092796
where:
bonds (distance) C4'-P energy: -111.992
bonds (distance) P-C4' energy: -111.804
flat angles C4'-P-C4' energy: -133.140
flat angles P-C4'-P energy: -96.724
tors. eta vs tors. theta energy: -187.434
Dist. restrs. and SS energy: 25.324 (S_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: 74
Temperature: 1.250000
Total energy: -2107.566810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.566810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.203659 (E_RNA)
where:
Base-Base interactions energy: -1503.173
where: short stacking energy: -602.653
Base-Backbone interact. energy: -0.441
local terms energy: -619.589636
where:
bonds (distance) C4'-P energy: -115.136
bonds (distance) P-C4' energy: -108.732
flat angles C4'-P-C4' energy: -121.112
flat angles P-C4'-P energy: -91.634
tors. eta vs tors. theta energy: -182.976
Dist. restrs. and SS energy: 15.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1934.951442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.951442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.198234 (E_RNA)
where:
Base-Base interactions energy: -1382.639
where: short stacking energy: -553.644
Base-Backbone interact. energy: -1.343
local terms energy: -573.216814
where:
bonds (distance) C4'-P energy: -113.486
bonds (distance) P-C4' energy: -109.934
flat angles C4'-P-C4' energy: -126.966
flat angles P-C4'-P energy: -57.627
tors. eta vs tors. theta energy: -165.204
Dist. restrs. and SS energy: 22.247 (S_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: 74
Temperature: 1.350000
Total energy: -1807.384973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.384973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.081704 (E_RNA)
where:
Base-Base interactions energy: -1280.524
where: short stacking energy: -494.904
Base-Backbone interact. energy: 3.266
local terms energy: -554.823641
where:
bonds (distance) C4'-P energy: -107.538
bonds (distance) P-C4' energy: -121.159
flat angles C4'-P-C4' energy: -113.408
flat angles P-C4'-P energy: -72.341
tors. eta vs tors. theta energy: -140.377
Dist. restrs. and SS energy: 24.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2719.915943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.915943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.980544 (E_RNA)
where:
Base-Base interactions energy: -1927.479
where: short stacking energy: -805.687
Base-Backbone interact. energy: -2.306
local terms energy: -801.196139
where:
bonds (distance) C4'-P energy: -150.000
bonds (distance) P-C4' energy: -138.353
flat angles C4'-P-C4' energy: -162.473
flat angles P-C4'-P energy: -113.647
tors. eta vs tors. theta energy: -236.724
Dist. restrs. and SS energy: 11.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2627.621476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.621476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.939190 (E_RNA)
where:
Base-Base interactions energy: -1859.575
where: short stacking energy: -781.263
Base-Backbone interact. energy: -2.604
local terms energy: -778.760879
where:
bonds (distance) C4'-P energy: -139.400
bonds (distance) P-C4' energy: -126.017
flat angles C4'-P-C4' energy: -167.838
flat angles P-C4'-P energy: -114.271
tors. eta vs tors. theta energy: -231.235
Dist. restrs. and SS energy: 13.318 (S_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: -2572.874486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.874486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.625922 (E_RNA)
where:
Base-Base interactions energy: -1813.715
where: short stacking energy: -723.450
Base-Backbone interact. energy: -2.073
local terms energy: -764.837873
where:
bonds (distance) C4'-P energy: -137.482
bonds (distance) P-C4' energy: -134.538
flat angles C4'-P-C4' energy: -151.963
flat angles P-C4'-P energy: -102.963
tors. eta vs tors. theta energy: -237.891
Dist. restrs. and SS energy: 7.751 (S_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: -2443.410558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.410558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.930487 (E_RNA)
where:
Base-Base interactions energy: -1734.920
where: short stacking energy: -700.890
Base-Backbone interact. energy: -3.078
local terms energy: -717.932749
where:
bonds (distance) C4'-P energy: -134.026
bonds (distance) P-C4' energy: -133.642
flat angles C4'-P-C4' energy: -144.034
flat angles P-C4'-P energy: -94.245
tors. eta vs tors. theta energy: -211.986
Dist. restrs. and SS energy: 12.520 (S_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: 75
Temperature: 1.100000
Total energy: -2374.555888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.555888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.041129 (E_RNA)
where:
Base-Base interactions energy: -1668.997
where: short stacking energy: -687.853
Base-Backbone interact. energy: -1.169
local terms energy: -718.874939
where:
bonds (distance) C4'-P energy: -139.230
bonds (distance) P-C4' energy: -114.074
flat angles C4'-P-C4' energy: -143.429
flat angles P-C4'-P energy: -107.104
tors. eta vs tors. theta energy: -215.038
Dist. restrs. and SS energy: 14.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2291.128467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.128467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.961798 (E_RNA)
where:
Base-Base interactions energy: -1651.573
where: short stacking energy: -653.590
Base-Backbone interact. energy: 0.396
local terms energy: -649.784631
where:
bonds (distance) C4'-P energy: -116.035
bonds (distance) P-C4' energy: -111.821
flat angles C4'-P-C4' energy: -142.393
flat angles P-C4'-P energy: -88.423
tors. eta vs tors. theta energy: -191.112
Dist. restrs. and SS energy: 9.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2177.104695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.104695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.753025 (E_RNA)
where:
Base-Base interactions energy: -1556.104
where: short stacking energy: -640.625
Base-Backbone interact. energy: 0.369
local terms energy: -646.017778
where:
bonds (distance) C4'-P energy: -108.971
bonds (distance) P-C4' energy: -119.450
flat angles C4'-P-C4' energy: -128.151
flat angles P-C4'-P energy: -99.259
tors. eta vs tors. theta energy: -190.186
Dist. restrs. and SS energy: 24.648 (S_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: 75
Temperature: 1.250000
Total energy: -2103.055118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.055118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.728692 (E_RNA)
where:
Base-Base interactions energy: -1505.904
where: short stacking energy: -582.960
Base-Backbone interact. energy: 2.391
local terms energy: -617.215571
where:
bonds (distance) C4'-P energy: -104.021
bonds (distance) P-C4' energy: -115.833
flat angles C4'-P-C4' energy: -131.886
flat angles P-C4'-P energy: -82.034
tors. eta vs tors. theta energy: -183.441
Dist. restrs. and SS energy: 17.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1928.920357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.920357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.328350 (E_RNA)
where:
Base-Base interactions energy: -1362.246
where: short stacking energy: -541.615
Base-Backbone interact. energy: -0.172
local terms energy: -586.909822
where:
bonds (distance) C4'-P energy: -109.946
bonds (distance) P-C4' energy: -110.175
flat angles C4'-P-C4' energy: -120.837
flat angles P-C4'-P energy: -79.604
tors. eta vs tors. theta energy: -166.347
Dist. restrs. and SS energy: 20.408 (S_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: 75
Temperature: 1.350000
Total energy: -1804.102140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.102140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.847505 (E_RNA)
where:
Base-Base interactions energy: -1270.879
where: short stacking energy: -504.780
Base-Backbone interact. energy: -0.303
local terms energy: -564.665558
where:
bonds (distance) C4'-P energy: -94.041
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -122.863
flat angles P-C4'-P energy: -87.977
tors. eta vs tors. theta energy: -139.357
Dist. restrs. and SS energy: 31.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2691.920808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.920808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.172319 (E_RNA)
where:
Base-Base interactions energy: -1903.246
where: short stacking energy: -761.004
Base-Backbone interact. energy: -2.165
local terms energy: -796.761186
where:
bonds (distance) C4'-P energy: -142.534
bonds (distance) P-C4' energy: -144.149
flat angles C4'-P-C4' energy: -158.378
flat angles P-C4'-P energy: -118.646
tors. eta vs tors. theta energy: -233.055
Dist. restrs. and SS energy: 10.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2603.355675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.355675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.060519 (E_RNA)
where:
Base-Base interactions energy: -1856.400
where: short stacking energy: -763.340
Base-Backbone interact. energy: -1.869
local terms energy: -758.791243
where:
bonds (distance) C4'-P energy: -135.816
bonds (distance) P-C4' energy: -139.443
flat angles C4'-P-C4' energy: -155.657
flat angles P-C4'-P energy: -104.235
tors. eta vs tors. theta energy: -223.640
Dist. restrs. and SS energy: 13.705 (S_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: -2583.600423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.600423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.492073 (E_RNA)
where:
Base-Base interactions energy: -1831.475
where: short stacking energy: -757.500
Base-Backbone interact. energy: -0.107
local terms energy: -758.910973
where:
bonds (distance) C4'-P energy: -124.914
bonds (distance) P-C4' energy: -139.187
flat angles C4'-P-C4' energy: -152.975
flat angles P-C4'-P energy: -109.385
tors. eta vs tors. theta energy: -232.450
Dist. restrs. and SS energy: 6.892 (S_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: -2475.602876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.602876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.153266 (E_RNA)
where:
Base-Base interactions energy: -1742.200
where: short stacking energy: -708.687
Base-Backbone interact. energy: -2.986
local terms energy: -751.968012
where:
bonds (distance) C4'-P energy: -131.215
bonds (distance) P-C4' energy: -133.606
flat angles C4'-P-C4' energy: -154.150
flat angles P-C4'-P energy: -112.895
tors. eta vs tors. theta energy: -220.102
Dist. restrs. and SS energy: 21.550 (S_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: 76
Temperature: 1.100000
Total energy: -2389.608486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.608486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.093094 (E_RNA)
where:
Base-Base interactions energy: -1708.730
where: short stacking energy: -687.041
Base-Backbone interact. energy: -2.751
local terms energy: -692.612299
where:
bonds (distance) C4'-P energy: -109.532
bonds (distance) P-C4' energy: -134.891
flat angles C4'-P-C4' energy: -141.744
flat angles P-C4'-P energy: -99.621
tors. eta vs tors. theta energy: -206.824
Dist. restrs. and SS energy: 14.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2227.457214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.457214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.855718 (E_RNA)
where:
Base-Base interactions energy: -1553.669
where: short stacking energy: -627.337
Base-Backbone interact. energy: 0.155
local terms energy: -686.341464
where:
bonds (distance) C4'-P energy: -121.786
bonds (distance) P-C4' energy: -135.990
flat angles C4'-P-C4' energy: -145.978
flat angles P-C4'-P energy: -95.540
tors. eta vs tors. theta energy: -187.048
Dist. restrs. and SS energy: 12.399 (S_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: 76
Temperature: 1.200000
Total energy: -2159.630200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.630200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.590497 (E_RNA)
where:
Base-Base interactions energy: -1545.368
where: short stacking energy: -607.794
Base-Backbone interact. energy: -0.400
local terms energy: -633.823133
where:
bonds (distance) C4'-P energy: -103.989
bonds (distance) P-C4' energy: -122.719
flat angles C4'-P-C4' energy: -139.367
flat angles P-C4'-P energy: -77.365
tors. eta vs tors. theta energy: -190.383
Dist. restrs. and SS energy: 19.960 (S_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: 76
Temperature: 1.250000
Total energy: -2076.042972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.042972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.388815 (E_RNA)
where:
Base-Base interactions energy: -1498.628
where: short stacking energy: -593.930
Base-Backbone interact. energy: -1.769
local terms energy: -592.991861
where:
bonds (distance) C4'-P energy: -108.104
bonds (distance) P-C4' energy: -110.030
flat angles C4'-P-C4' energy: -120.809
flat angles P-C4'-P energy: -72.516
tors. eta vs tors. theta energy: -181.533
Dist. restrs. and SS energy: 17.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1941.939291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.939291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.765774 (E_RNA)
where:
Base-Base interactions energy: -1393.271
where: short stacking energy: -538.097
Base-Backbone interact. energy: -4.606
local terms energy: -568.888924
where:
bonds (distance) C4'-P energy: -114.571
bonds (distance) P-C4' energy: -101.892
flat angles C4'-P-C4' energy: -125.039
flat angles P-C4'-P energy: -73.428
tors. eta vs tors. theta energy: -153.958
Dist. restrs. and SS energy: 24.826 (S_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: 76
Temperature: 1.350000
Total energy: -1702.832425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.832425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.814991 (E_RNA)
where:
Base-Base interactions energy: -1186.864
where: short stacking energy: -481.004
Base-Backbone interact. energy: 6.129
local terms energy: -566.079715
where:
bonds (distance) C4'-P energy: -119.940
bonds (distance) P-C4' energy: -112.443
flat angles C4'-P-C4' energy: -127.454
flat angles P-C4'-P energy: -75.569
tors. eta vs tors. theta energy: -130.674
Dist. restrs. and SS energy: 43.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2683.384245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.384245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.508953 (E_RNA)
where:
Base-Base interactions energy: -1903.841
where: short stacking energy: -786.625
Base-Backbone interact. energy: -2.544
local terms energy: -785.123370
where:
bonds (distance) C4'-P energy: -129.197
bonds (distance) P-C4' energy: -145.116
flat angles C4'-P-C4' energy: -159.349
flat angles P-C4'-P energy: -109.462
tors. eta vs tors. theta energy: -241.999
Dist. restrs. and SS energy: 8.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2598.370216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.370216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.821841 (E_RNA)
where:
Base-Base interactions energy: -1834.686
where: short stacking energy: -751.908
Base-Backbone interact. energy: -0.672
local terms energy: -777.463195
where:
bonds (distance) C4'-P energy: -131.402
bonds (distance) P-C4' energy: -141.517
flat angles C4'-P-C4' energy: -156.844
flat angles P-C4'-P energy: -118.522
tors. eta vs tors. theta energy: -229.178
Dist. restrs. and SS energy: 14.452 (S_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: 77
Temperature: 1.000000
Total energy: -2623.643870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.643870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.898965 (E_RNA)
where:
Base-Base interactions energy: -1848.966
where: short stacking energy: -777.768
Base-Backbone interact. energy: -3.243
local terms energy: -777.689967
where:
bonds (distance) C4'-P energy: -156.714
bonds (distance) P-C4' energy: -135.633
flat angles C4'-P-C4' energy: -141.826
flat angles P-C4'-P energy: -103.554
tors. eta vs tors. theta energy: -239.964
Dist. restrs. and SS energy: 6.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2479.239538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.239538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.584499 (E_RNA)
where:
Base-Base interactions energy: -1741.667
where: short stacking energy: -691.529
Base-Backbone interact. energy: -1.000
local terms energy: -752.917960
where:
bonds (distance) C4'-P energy: -128.466
bonds (distance) P-C4' energy: -139.040
flat angles C4'-P-C4' energy: -161.241
flat angles P-C4'-P energy: -104.585
tors. eta vs tors. theta energy: -219.586
Dist. restrs. and SS energy: 16.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2384.832951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.832951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.104352 (E_RNA)
where:
Base-Base interactions energy: -1704.701
where: short stacking energy: -680.366
Base-Backbone interact. energy: -2.875
local terms energy: -698.528319
where:
bonds (distance) C4'-P energy: -106.424
bonds (distance) P-C4' energy: -122.594
flat angles C4'-P-C4' energy: -158.051
flat angles P-C4'-P energy: -98.725
tors. eta vs tors. theta energy: -212.733
Dist. restrs. and SS energy: 21.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2280.576690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.576690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.842073 (E_RNA)
where:
Base-Base interactions energy: -1614.828
where: short stacking energy: -636.863
Base-Backbone interact. energy: -5.058
local terms energy: -670.955901
where:
bonds (distance) C4'-P energy: -123.994
bonds (distance) P-C4' energy: -104.682
flat angles C4'-P-C4' energy: -161.214
flat angles P-C4'-P energy: -83.472
tors. eta vs tors. theta energy: -197.594
Dist. restrs. and SS energy: 10.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2236.845452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.845452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.514469 (E_RNA)
where:
Base-Base interactions energy: -1607.619
where: short stacking energy: -643.226
Base-Backbone interact. energy: -3.787
local terms energy: -638.108768
where:
bonds (distance) C4'-P energy: -133.083
bonds (distance) P-C4' energy: -103.100
flat angles C4'-P-C4' energy: -135.479
flat angles P-C4'-P energy: -77.448
tors. eta vs tors. theta energy: -188.999
Dist. restrs. and SS energy: 12.669 (S_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: 77
Temperature: 1.250000
Total energy: -2076.929633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.929633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.838969 (E_RNA)
where:
Base-Base interactions energy: -1495.411
where: short stacking energy: -609.048
Base-Backbone interact. energy: -2.582
local terms energy: -594.846056
where:
bonds (distance) C4'-P energy: -107.221
bonds (distance) P-C4' energy: -100.570
flat angles C4'-P-C4' energy: -126.554
flat angles P-C4'-P energy: -82.208
tors. eta vs tors. theta energy: -178.292
Dist. restrs. and SS energy: 15.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1973.214203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.214203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.501057 (E_RNA)
where:
Base-Base interactions energy: -1431.742
where: short stacking energy: -573.490
Base-Backbone interact. energy: 9.061
local terms energy: -573.820594
where:
bonds (distance) C4'-P energy: -100.299
bonds (distance) P-C4' energy: -112.918
flat angles C4'-P-C4' energy: -112.767
flat angles P-C4'-P energy: -84.852
tors. eta vs tors. theta energy: -162.985
Dist. restrs. and SS energy: 23.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1802.051867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.051867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.506431 (E_RNA)
where:
Base-Base interactions energy: -1287.264
where: short stacking energy: -509.633
Base-Backbone interact. energy: -2.448
local terms energy: -552.794741
where:
bonds (distance) C4'-P energy: -114.048
bonds (distance) P-C4' energy: -104.963
flat angles C4'-P-C4' energy: -121.277
flat angles P-C4'-P energy: -72.128
tors. eta vs tors. theta energy: -140.379
Dist. restrs. and SS energy: 40.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2689.900226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.900226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.706459 (E_RNA)
where:
Base-Base interactions energy: -1898.362
where: short stacking energy: -779.012
Base-Backbone interact. energy: -2.414
local terms energy: -800.929617
where:
bonds (distance) C4'-P energy: -135.754
bonds (distance) P-C4' energy: -147.751
flat angles C4'-P-C4' energy: -163.909
flat angles P-C4'-P energy: -116.973
tors. eta vs tors. theta energy: -236.542
Dist. restrs. and SS energy: 11.806 (S_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: 78
Temperature: 0.950000
Total energy: -2615.699004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.699004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.352493 (E_RNA)
where:
Base-Base interactions energy: -1845.022
where: short stacking energy: -756.244
Base-Backbone interact. energy: -2.646
local terms energy: -780.684340
where:
bonds (distance) C4'-P energy: -129.654
bonds (distance) P-C4' energy: -143.467
flat angles C4'-P-C4' energy: -163.678
flat angles P-C4'-P energy: -112.954
tors. eta vs tors. theta energy: -230.932
Dist. restrs. and SS energy: 12.653 (S_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: 78
Temperature: 1.000000
Total energy: -2552.802781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.802781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.147541 (E_RNA)
where:
Base-Base interactions energy: -1803.942
where: short stacking energy: -736.162
Base-Backbone interact. energy: -1.078
local terms energy: -757.127782
where:
bonds (distance) C4'-P energy: -129.038
bonds (distance) P-C4' energy: -126.771
flat angles C4'-P-C4' energy: -154.165
flat angles P-C4'-P energy: -113.433
tors. eta vs tors. theta energy: -233.721
Dist. restrs. and SS energy: 9.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2462.103591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.103591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.959474 (E_RNA)
where:
Base-Base interactions energy: -1763.760
where: short stacking energy: -729.599
Base-Backbone interact. energy: 0.608
local terms energy: -718.807909
where:
bonds (distance) C4'-P energy: -127.793
bonds (distance) P-C4' energy: -142.085
flat angles C4'-P-C4' energy: -149.829
flat angles P-C4'-P energy: -82.133
tors. eta vs tors. theta energy: -216.968
Dist. restrs. and SS energy: 19.856 (S_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: 78
Temperature: 1.100000
Total energy: -2356.868652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.868652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.594067 (E_RNA)
where:
Base-Base interactions energy: -1667.406
where: short stacking energy: -658.967
Base-Backbone interact. energy: -3.763
local terms energy: -693.424733
where:
bonds (distance) C4'-P energy: -114.454
bonds (distance) P-C4' energy: -135.637
flat angles C4'-P-C4' energy: -151.242
flat angles P-C4'-P energy: -90.115
tors. eta vs tors. theta energy: -201.977
Dist. restrs. and SS energy: 7.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2336.005677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.005677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.806838 (E_RNA)
where:
Base-Base interactions energy: -1640.190
where: short stacking energy: -689.140
Base-Backbone interact. energy: -1.701
local terms energy: -708.915903
where:
bonds (distance) C4'-P energy: -118.112
bonds (distance) P-C4' energy: -131.607
flat angles C4'-P-C4' energy: -137.478
flat angles P-C4'-P energy: -114.294
tors. eta vs tors. theta energy: -207.425
Dist. restrs. and SS energy: 14.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2158.197663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.197663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.066214 (E_RNA)
where:
Base-Base interactions energy: -1536.018
where: short stacking energy: -620.138
Base-Backbone interact. energy: -0.077
local terms energy: -637.970475
where:
bonds (distance) C4'-P energy: -117.196
bonds (distance) P-C4' energy: -116.111
flat angles C4'-P-C4' energy: -131.196
flat angles P-C4'-P energy: -85.669
tors. eta vs tors. theta energy: -187.798
Dist. restrs. and SS energy: 15.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2145.532975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.532975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.541689 (E_RNA)
where:
Base-Base interactions energy: -1503.481
where: short stacking energy: -611.641
Base-Backbone interact. energy: -2.163
local terms energy: -660.898053
where:
bonds (distance) C4'-P energy: -105.291
bonds (distance) P-C4' energy: -127.389
flat angles C4'-P-C4' energy: -145.486
flat angles P-C4'-P energy: -89.654
tors. eta vs tors. theta energy: -193.078
Dist. restrs. and SS energy: 21.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1965.503533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.503533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.910592 (E_RNA)
where:
Base-Base interactions energy: -1386.500
where: short stacking energy: -561.442
Base-Backbone interact. energy: 4.283
local terms energy: -608.693654
where:
bonds (distance) C4'-P energy: -108.733
bonds (distance) P-C4' energy: -111.886
flat angles C4'-P-C4' energy: -128.383
flat angles P-C4'-P energy: -89.680
tors. eta vs tors. theta energy: -170.012
Dist. restrs. and SS energy: 25.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1804.983463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.983463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.753933 (E_RNA)
where:
Base-Base interactions energy: -1320.393
where: short stacking energy: -500.982
Base-Backbone interact. energy: -1.218
local terms energy: -501.143352
where:
bonds (distance) C4'-P energy: -76.000
bonds (distance) P-C4' energy: -109.993
flat angles C4'-P-C4' energy: -108.339
flat angles P-C4'-P energy: -75.836
tors. eta vs tors. theta energy: -130.975
Dist. restrs. and SS energy: 17.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2694.258579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.258579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.221421 (E_RNA)
where:
Base-Base interactions energy: -1913.744
where: short stacking energy: -792.049
Base-Backbone interact. energy: -1.845
local terms energy: -787.632229
where:
bonds (distance) C4'-P energy: -125.839
bonds (distance) P-C4' energy: -141.730
flat angles C4'-P-C4' energy: -158.115
flat angles P-C4'-P energy: -110.507
tors. eta vs tors. theta energy: -251.442
Dist. restrs. and SS energy: 8.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2641.759178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.759178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.847495 (E_RNA)
where:
Base-Base interactions energy: -1886.399
where: short stacking energy: -776.454
Base-Backbone interact. energy: -1.733
local terms energy: -760.715972
where:
bonds (distance) C4'-P energy: -127.180
bonds (distance) P-C4' energy: -129.748
flat angles C4'-P-C4' energy: -158.306
flat angles P-C4'-P energy: -106.661
tors. eta vs tors. theta energy: -238.821
Dist. restrs. and SS energy: 7.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2566.980454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.980454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.849494 (E_RNA)
where:
Base-Base interactions energy: -1802.828
where: short stacking energy: -761.723
Base-Backbone interact. energy: -1.072
local terms energy: -779.949443
where:
bonds (distance) C4'-P energy: -124.924
bonds (distance) P-C4' energy: -133.701
flat angles C4'-P-C4' energy: -163.790
flat angles P-C4'-P energy: -116.244
tors. eta vs tors. theta energy: -241.290
Dist. restrs. and SS energy: 16.869 (S_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: 79
Temperature: 1.050000
Total energy: -2479.139233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.139233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.881613 (E_RNA)
where:
Base-Base interactions energy: -1744.073
where: short stacking energy: -717.437
Base-Backbone interact. energy: -3.491
local terms energy: -749.317972
where:
bonds (distance) C4'-P energy: -144.717
bonds (distance) P-C4' energy: -129.017
flat angles C4'-P-C4' energy: -156.726
flat angles P-C4'-P energy: -98.878
tors. eta vs tors. theta energy: -219.979
Dist. restrs. and SS energy: 17.742 (S_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: 79
Temperature: 1.100000
Total energy: -2394.338460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.338460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.406989 (E_RNA)
where:
Base-Base interactions energy: -1704.933
where: short stacking energy: -688.772
Base-Backbone interact. energy: -2.749
local terms energy: -691.725113
where:
bonds (distance) C4'-P energy: -133.525
bonds (distance) P-C4' energy: -108.076
flat angles C4'-P-C4' energy: -153.038
flat angles P-C4'-P energy: -90.949
tors. eta vs tors. theta energy: -206.137
Dist. restrs. and SS energy: 5.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2330.309482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.309482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.817635 (E_RNA)
where:
Base-Base interactions energy: -1641.718
where: short stacking energy: -667.767
Base-Backbone interact. energy: -2.409
local terms energy: -695.690254
where:
bonds (distance) C4'-P energy: -128.775
bonds (distance) P-C4' energy: -117.757
flat angles C4'-P-C4' energy: -141.707
flat angles P-C4'-P energy: -101.132
tors. eta vs tors. theta energy: -206.319
Dist. restrs. and SS energy: 9.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -2164.646345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.646345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.723339 (E_RNA)
where:
Base-Base interactions energy: -1557.425
where: short stacking energy: -603.396
Base-Backbone interact. energy: -1.685
local terms energy: -617.612560
where:
bonds (distance) C4'-P energy: -110.910
bonds (distance) P-C4' energy: -107.499
flat angles C4'-P-C4' energy: -136.303
flat angles P-C4'-P energy: -75.557
tors. eta vs tors. theta energy: -187.344
Dist. restrs. and SS energy: 12.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -2126.586983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.586983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.634441 (E_RNA)
where:
Base-Base interactions energy: -1522.731
where: short stacking energy: -619.854
Base-Backbone interact. energy: -0.286
local terms energy: -624.617725
where:
bonds (distance) C4'-P energy: -111.356
bonds (distance) P-C4' energy: -98.404
flat angles C4'-P-C4' energy: -137.290
flat angles P-C4'-P energy: -91.563
tors. eta vs tors. theta energy: -186.005
Dist. restrs. and SS energy: 21.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -2010.026344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.026344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.090758 (E_RNA)
where:
Base-Base interactions energy: -1454.246
where: short stacking energy: -588.085
Base-Backbone interact. energy: -1.456
local terms energy: -569.389145
where:
bonds (distance) C4'-P energy: -89.442
bonds (distance) P-C4' energy: -93.390
flat angles C4'-P-C4' energy: -120.697
flat angles P-C4'-P energy: -79.983
tors. eta vs tors. theta energy: -185.876
Dist. restrs. and SS energy: 15.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1812.632259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.632259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.112386 (E_RNA)
where:
Base-Base interactions energy: -1289.473
where: short stacking energy: -497.746
Base-Backbone interact. energy: 0.273
local terms energy: -545.911639
where:
bonds (distance) C4'-P energy: -105.943
bonds (distance) P-C4' energy: -102.177
flat angles C4'-P-C4' energy: -117.080
flat angles P-C4'-P energy: -66.178
tors. eta vs tors. theta energy: -154.534
Dist. restrs. and SS energy: 22.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2687.776144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.776144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.806236 (E_RNA)
where:
Base-Base interactions energy: -1897.105
where: short stacking energy: -800.747
Base-Backbone interact. energy: 0.049
local terms energy: -801.750211
where:
bonds (distance) C4'-P energy: -140.202
bonds (distance) P-C4' energy: -160.567
flat angles C4'-P-C4' energy: -153.141
flat angles P-C4'-P energy: -101.832
tors. eta vs tors. theta energy: -246.009
Dist. restrs. and SS energy: 11.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2661.102667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.102667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.998704 (E_RNA)
where:
Base-Base interactions energy: -1862.078
where: short stacking energy: -771.900
Base-Backbone interact. energy: -3.992
local terms energy: -799.928828
where:
bonds (distance) C4'-P energy: -145.927
bonds (distance) P-C4' energy: -139.308
flat angles C4'-P-C4' energy: -161.803
flat angles P-C4'-P energy: -112.932
tors. eta vs tors. theta energy: -239.959
Dist. restrs. and SS energy: 4.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2544.354943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.354943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.812085 (E_RNA)
where:
Base-Base interactions energy: -1793.677
where: short stacking energy: -749.876
Base-Backbone interact. energy: -2.638
local terms energy: -764.497438
where:
bonds (distance) C4'-P energy: -125.496
bonds (distance) P-C4' energy: -128.268
flat angles C4'-P-C4' energy: -155.167
flat angles P-C4'-P energy: -116.484
tors. eta vs tors. theta energy: -239.083
Dist. restrs. and SS energy: 16.457 (S_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: 80
Temperature: 1.050000
Total energy: -2445.776651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.776651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.080031 (E_RNA)
where:
Base-Base interactions energy: -1723.627
where: short stacking energy: -693.306
Base-Backbone interact. energy: -1.390
local terms energy: -732.062840
where:
bonds (distance) C4'-P energy: -120.076
bonds (distance) P-C4' energy: -148.592
flat angles C4'-P-C4' energy: -144.482
flat angles P-C4'-P energy: -107.595
tors. eta vs tors. theta energy: -211.318
Dist. restrs. and SS energy: 11.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2439.141389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.141389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.446893 (E_RNA)
where:
Base-Base interactions energy: -1726.809
where: short stacking energy: -703.217
Base-Backbone interact. energy: -3.244
local terms energy: -714.394176
where:
bonds (distance) C4'-P energy: -117.531
bonds (distance) P-C4' energy: -123.668
flat angles C4'-P-C4' energy: -140.208
flat angles P-C4'-P energy: -111.115
tors. eta vs tors. theta energy: -221.872
Dist. restrs. and SS energy: 5.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2393.096947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.096947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.891466 (E_RNA)
where:
Base-Base interactions energy: -1675.040
where: short stacking energy: -709.811
Base-Backbone interact. energy: -3.296
local terms energy: -723.555978
where:
bonds (distance) C4'-P energy: -131.052
bonds (distance) P-C4' energy: -128.521
flat angles C4'-P-C4' energy: -140.306
flat angles P-C4'-P energy: -101.675
tors. eta vs tors. theta energy: -222.001
Dist. restrs. and SS energy: 8.795 (S_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: 80
Temperature: 1.200000
Total energy: -2182.814532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.814532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.155189 (E_RNA)
where:
Base-Base interactions energy: -1521.388
where: short stacking energy: -606.826
Base-Backbone interact. energy: 0.767
local terms energy: -674.534151
where:
bonds (distance) C4'-P energy: -119.803
bonds (distance) P-C4' energy: -114.402
flat angles C4'-P-C4' energy: -156.229
flat angles P-C4'-P energy: -85.235
tors. eta vs tors. theta energy: -198.865
Dist. restrs. and SS energy: 12.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2063.140401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.140401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.304127 (E_RNA)
where:
Base-Base interactions energy: -1439.263
where: short stacking energy: -579.092
Base-Backbone interact. energy: -1.292
local terms energy: -639.749590
where:
bonds (distance) C4'-P energy: -129.608
bonds (distance) P-C4' energy: -106.929
flat angles C4'-P-C4' energy: -134.134
flat angles P-C4'-P energy: -87.897
tors. eta vs tors. theta energy: -181.181
Dist. restrs. and SS energy: 17.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1880.470384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.470384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.030109 (E_RNA)
where:
Base-Base interactions energy: -1321.730
where: short stacking energy: -523.337
Base-Backbone interact. energy: -1.679
local terms energy: -591.620505
where:
bonds (distance) C4'-P energy: -117.743
bonds (distance) P-C4' energy: -123.371
flat angles C4'-P-C4' energy: -109.088
flat angles P-C4'-P energy: -73.138
tors. eta vs tors. theta energy: -168.280
Dist. restrs. and SS energy: 34.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1873.443152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.443152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.131228 (E_RNA)
where:
Base-Base interactions energy: -1332.561
where: short stacking energy: -534.458
Base-Backbone interact. energy: 1.522
local terms energy: -558.092139
where:
bonds (distance) C4'-P energy: -103.641
bonds (distance) P-C4' energy: -103.273
flat angles C4'-P-C4' energy: -116.647
flat angles P-C4'-P energy: -75.246
tors. eta vs tors. theta energy: -159.285
Dist. restrs. and SS energy: 15.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2697.045666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.045666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.614050 (E_RNA)
where:
Base-Base interactions energy: -1921.692
where: short stacking energy: -785.976
Base-Backbone interact. energy: -2.072
local terms energy: -781.849867
where:
bonds (distance) C4'-P energy: -135.827
bonds (distance) P-C4' energy: -150.264
flat angles C4'-P-C4' energy: -158.662
flat angles P-C4'-P energy: -106.587
tors. eta vs tors. theta energy: -230.510
Dist. restrs. and SS energy: 8.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2642.683464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.683464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.058165 (E_RNA)
where:
Base-Base interactions energy: -1851.554
where: short stacking energy: -754.487
Base-Backbone interact. energy: 3.152
local terms energy: -797.655715
where:
bonds (distance) C4'-P energy: -146.051
bonds (distance) P-C4' energy: -144.244
flat angles C4'-P-C4' energy: -154.838
flat angles P-C4'-P energy: -109.442
tors. eta vs tors. theta energy: -243.080
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2542.318949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.318949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.296160 (E_RNA)
where:
Base-Base interactions energy: -1781.717
where: short stacking energy: -729.350
Base-Backbone interact. energy: -1.926
local terms energy: -766.652566
where:
bonds (distance) C4'-P energy: -143.379
bonds (distance) P-C4' energy: -133.904
flat angles C4'-P-C4' energy: -158.033
flat angles P-C4'-P energy: -101.926
tors. eta vs tors. theta energy: -229.411
Dist. restrs. and SS energy: 7.977 (S_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: 81
Temperature: 1.050000
Total energy: -2453.037011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.037011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.431406 (E_RNA)
where:
Base-Base interactions energy: -1711.285
where: short stacking energy: -697.929
Base-Backbone interact. energy: -3.684
local terms energy: -755.462545
where:
bonds (distance) C4'-P energy: -122.867
bonds (distance) P-C4' energy: -141.168
flat angles C4'-P-C4' energy: -162.703
flat angles P-C4'-P energy: -117.397
tors. eta vs tors. theta energy: -211.328
Dist. restrs. and SS energy: 17.394 (S_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: 81
Temperature: 1.100000
Total energy: -2473.280335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.280335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.987527 (E_RNA)
where:
Base-Base interactions energy: -1751.342
where: short stacking energy: -711.675
Base-Backbone interact. energy: -1.049
local terms energy: -733.596020
where:
bonds (distance) C4'-P energy: -123.988
bonds (distance) P-C4' energy: -118.885
flat angles C4'-P-C4' energy: -149.607
flat angles P-C4'-P energy: -118.900
tors. eta vs tors. theta energy: -222.216
Dist. restrs. and SS energy: 12.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2305.067720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.067720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.119261 (E_RNA)
where:
Base-Base interactions energy: -1614.640
where: short stacking energy: -678.714
Base-Backbone interact. energy: -2.278
local terms energy: -701.201285
where:
bonds (distance) C4'-P energy: -132.948
bonds (distance) P-C4' energy: -115.019
flat angles C4'-P-C4' energy: -142.353
flat angles P-C4'-P energy: -103.408
tors. eta vs tors. theta energy: -207.473
Dist. restrs. and SS energy: 13.052 (S_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: 81
Temperature: 1.200000
Total energy: -2183.750919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.750919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.514640 (E_RNA)
where:
Base-Base interactions energy: -1564.405
where: short stacking energy: -618.734
Base-Backbone interact. energy: -1.998
local terms energy: -634.111657
where:
bonds (distance) C4'-P energy: -123.706
bonds (distance) P-C4' energy: -116.743
flat angles C4'-P-C4' energy: -135.761
flat angles P-C4'-P energy: -80.689
tors. eta vs tors. theta energy: -177.212
Dist. restrs. and SS energy: 16.764 (S_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: 81
Temperature: 1.250000
Total energy: -2067.195336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.195336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.958242 (E_RNA)
where:
Base-Base interactions energy: -1479.681
where: short stacking energy: -613.400
Base-Backbone interact. energy: 1.555
local terms energy: -607.832566
where:
bonds (distance) C4'-P energy: -123.235
bonds (distance) P-C4' energy: -92.784
flat angles C4'-P-C4' energy: -133.709
flat angles P-C4'-P energy: -78.593
tors. eta vs tors. theta energy: -179.511
Dist. restrs. and SS energy: 18.763 (S_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: 81
Temperature: 1.300000
Total energy: -1860.508005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.508005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.267915 (E_RNA)
where:
Base-Base interactions energy: -1336.975
where: short stacking energy: -546.844
Base-Backbone interact. energy: -0.591
local terms energy: -551.702116
where:
bonds (distance) C4'-P energy: -98.133
bonds (distance) P-C4' energy: -112.272
flat angles C4'-P-C4' energy: -117.493
flat angles P-C4'-P energy: -64.665
tors. eta vs tors. theta energy: -159.139
Dist. restrs. and SS energy: 28.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1876.517623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.517623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.490356 (E_RNA)
where:
Base-Base interactions energy: -1318.331
where: short stacking energy: -512.305
Base-Backbone interact. energy: -1.621
local terms energy: -583.538232
where:
bonds (distance) C4'-P energy: -110.415
bonds (distance) P-C4' energy: -117.130
flat angles C4'-P-C4' energy: -123.309
flat angles P-C4'-P energy: -82.612
tors. eta vs tors. theta energy: -150.071
Dist. restrs. and SS energy: 26.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2740.620707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.620707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.418271 (E_RNA)
where:
Base-Base interactions energy: -1912.208
where: short stacking energy: -791.811
Base-Backbone interact. energy: -2.513
local terms energy: -832.697531
where:
bonds (distance) C4'-P energy: -146.589
bonds (distance) P-C4' energy: -148.117
flat angles C4'-P-C4' energy: -175.549
flat angles P-C4'-P energy: -122.123
tors. eta vs tors. theta energy: -240.320
Dist. restrs. and SS energy: 6.798 (S_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: 82
Temperature: 0.950000
Total energy: -2624.365964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.365964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.375849 (E_RNA)
where:
Base-Base interactions energy: -1844.488
where: short stacking energy: -760.434
Base-Backbone interact. energy: -0.928
local terms energy: -790.959464
where:
bonds (distance) C4'-P energy: -124.165
bonds (distance) P-C4' energy: -149.442
flat angles C4'-P-C4' energy: -162.358
flat angles P-C4'-P energy: -111.488
tors. eta vs tors. theta energy: -243.507
Dist. restrs. and SS energy: 12.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2555.183062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.183062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.467725 (E_RNA)
where:
Base-Base interactions energy: -1820.999
where: short stacking energy: -741.628
Base-Backbone interact. energy: -1.499
local terms energy: -743.970540
where:
bonds (distance) C4'-P energy: -125.091
bonds (distance) P-C4' energy: -140.052
flat angles C4'-P-C4' energy: -153.154
flat angles P-C4'-P energy: -101.529
tors. eta vs tors. theta energy: -224.145
Dist. restrs. and SS energy: 11.285 (S_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: 82
Temperature: 1.050000
Total energy: -2457.371904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.371904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.060027 (E_RNA)
where:
Base-Base interactions energy: -1757.979
where: short stacking energy: -743.025
Base-Backbone interact. energy: -4.172
local terms energy: -707.908211
where:
bonds (distance) C4'-P energy: -117.354
bonds (distance) P-C4' energy: -113.295
flat angles C4'-P-C4' energy: -151.308
flat angles P-C4'-P energy: -95.911
tors. eta vs tors. theta energy: -230.040
Dist. restrs. and SS energy: 12.688 (S_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: 82
Temperature: 1.100000
Total energy: -2489.139889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.139889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.036557 (E_RNA)
where:
Base-Base interactions energy: -1764.196
where: short stacking energy: -693.880
Base-Backbone interact. energy: -5.812
local terms energy: -725.028714
where:
bonds (distance) C4'-P energy: -108.123
bonds (distance) P-C4' energy: -120.887
flat angles C4'-P-C4' energy: -161.965
flat angles P-C4'-P energy: -121.468
tors. eta vs tors. theta energy: -212.586
Dist. restrs. and SS energy: 5.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2285.308172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.308172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.585712 (E_RNA)
where:
Base-Base interactions energy: -1612.749
where: short stacking energy: -669.810
Base-Backbone interact. energy: -0.214
local terms energy: -682.622952
where:
bonds (distance) C4'-P energy: -117.953
bonds (distance) P-C4' energy: -123.659
flat angles C4'-P-C4' energy: -140.881
flat angles P-C4'-P energy: -93.196
tors. eta vs tors. theta energy: -206.933
Dist. restrs. and SS energy: 10.278 (S_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: 82
Temperature: 1.200000
Total energy: -2264.958271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.958271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.802061 (E_RNA)
where:
Base-Base interactions energy: -1626.433
where: short stacking energy: -649.381
Base-Backbone interact. energy: -2.405
local terms energy: -658.964436
where:
bonds (distance) C4'-P energy: -107.965
bonds (distance) P-C4' energy: -124.364
flat angles C4'-P-C4' energy: -135.633
flat angles P-C4'-P energy: -83.890
tors. eta vs tors. theta energy: -207.113
Dist. restrs. and SS energy: 22.844 (S_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: 82
Temperature: 1.250000
Total energy: -2069.093846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.093846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.885970 (E_RNA)
where:
Base-Base interactions energy: -1469.557
where: short stacking energy: -609.048
Base-Backbone interact. energy: 5.764
local terms energy: -632.092279
where:
bonds (distance) C4'-P energy: -125.036
bonds (distance) P-C4' energy: -109.447
flat angles C4'-P-C4' energy: -136.392
flat angles P-C4'-P energy: -75.942
tors. eta vs tors. theta energy: -185.276
Dist. restrs. and SS energy: 26.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1965.511046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.511046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.001214 (E_RNA)
where:
Base-Base interactions energy: -1380.382
where: short stacking energy: -563.088
Base-Backbone interact. energy: -0.841
local terms energy: -598.778098
where:
bonds (distance) C4'-P energy: -102.694
bonds (distance) P-C4' energy: -125.793
flat angles C4'-P-C4' energy: -120.742
flat angles P-C4'-P energy: -87.183
tors. eta vs tors. theta energy: -162.366
Dist. restrs. and SS energy: 14.490 (S_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: 82
Temperature: 1.350000
Total energy: -1817.981218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.981218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.945804 (E_RNA)
where:
Base-Base interactions energy: -1282.157
where: short stacking energy: -507.008
Base-Backbone interact. energy: -3.178
local terms energy: -557.610925
where:
bonds (distance) C4'-P energy: -75.969
bonds (distance) P-C4' energy: -113.931
flat angles C4'-P-C4' energy: -115.250
flat angles P-C4'-P energy: -86.965
tors. eta vs tors. theta energy: -165.497
Dist. restrs. and SS energy: 24.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2700.591779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.591779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.192207 (E_RNA)
where:
Base-Base interactions energy: -1903.389
where: short stacking energy: -792.272
Base-Backbone interact. energy: -0.799
local terms energy: -800.003776
where:
bonds (distance) C4'-P energy: -142.344
bonds (distance) P-C4' energy: -143.923
flat angles C4'-P-C4' energy: -156.388
flat angles P-C4'-P energy: -120.983
tors. eta vs tors. theta energy: -236.365
Dist. restrs. and SS energy: 3.600 (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: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2630.789182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.789182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.346337 (E_RNA)
where:
Base-Base interactions energy: -1876.159
where: short stacking energy: -776.537
Base-Backbone interact. energy: -4.429
local terms energy: -767.757968
where:
bonds (distance) C4'-P energy: -134.016
bonds (distance) P-C4' energy: -142.585
flat angles C4'-P-C4' energy: -153.405
flat angles P-C4'-P energy: -105.111
tors. eta vs tors. theta energy: -232.642
Dist. restrs. and SS energy: 17.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2559.567938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.567938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.882263 (E_RNA)
where:
Base-Base interactions energy: -1793.104
where: short stacking energy: -733.374
Base-Backbone interact. energy: -2.928
local terms energy: -774.849552
where:
bonds (distance) C4'-P energy: -142.958
bonds (distance) P-C4' energy: -140.101
flat angles C4'-P-C4' energy: -158.835
flat angles P-C4'-P energy: -103.157
tors. eta vs tors. theta energy: -229.798
Dist. restrs. and SS energy: 11.314 (S_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: -2440.254520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.254520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.298668 (E_RNA)
where:
Base-Base interactions energy: -1725.762
where: short stacking energy: -710.256
Base-Backbone interact. energy: 3.125
local terms energy: -727.661710
where:
bonds (distance) C4'-P energy: -130.183
bonds (distance) P-C4' energy: -114.717
flat angles C4'-P-C4' energy: -152.286
flat angles P-C4'-P energy: -113.955
tors. eta vs tors. theta energy: -216.520
Dist. restrs. and SS energy: 10.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2488.414491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.414491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.084901 (E_RNA)
where:
Base-Base interactions energy: -1751.661
where: short stacking energy: -701.565
Base-Backbone interact. energy: -3.822
local terms energy: -739.602423
where:
bonds (distance) C4'-P energy: -128.470
bonds (distance) P-C4' energy: -130.867
flat angles C4'-P-C4' energy: -141.487
flat angles P-C4'-P energy: -113.774
tors. eta vs tors. theta energy: -225.005
Dist. restrs. and SS energy: 6.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2293.021536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.021536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.955111 (E_RNA)
where:
Base-Base interactions energy: -1640.343
where: short stacking energy: -672.928
Base-Backbone interact. energy: -0.166
local terms energy: -665.445383
where:
bonds (distance) C4'-P energy: -98.690
bonds (distance) P-C4' energy: -124.483
flat angles C4'-P-C4' energy: -148.558
flat angles P-C4'-P energy: -98.631
tors. eta vs tors. theta energy: -195.083
Dist. restrs. and SS energy: 12.934 (S_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: 83
Temperature: 1.200000
Total energy: -2241.061950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.061950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.152176 (E_RNA)
where:
Base-Base interactions energy: -1623.686
where: short stacking energy: -670.281
Base-Backbone interact. energy: 2.197
local terms energy: -634.662571
where:
bonds (distance) C4'-P energy: -111.234
bonds (distance) P-C4' energy: -103.539
flat angles C4'-P-C4' energy: -139.430
flat angles P-C4'-P energy: -70.028
tors. eta vs tors. theta energy: -210.432
Dist. restrs. and SS energy: 15.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2127.442997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.442997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.362115 (E_RNA)
where:
Base-Base interactions energy: -1504.882
where: short stacking energy: -631.413
Base-Backbone interact. energy: 5.420
local terms energy: -640.900780
where:
bonds (distance) C4'-P energy: -113.626
bonds (distance) P-C4' energy: -117.552
flat angles C4'-P-C4' energy: -128.044
flat angles P-C4'-P energy: -90.611
tors. eta vs tors. theta energy: -191.068
Dist. restrs. and SS energy: 12.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1987.653458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.653458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.358721 (E_RNA)
where:
Base-Base interactions energy: -1422.152
where: short stacking energy: -567.323
Base-Backbone interact. energy: 5.390
local terms energy: -596.596627
where:
bonds (distance) C4'-P energy: -105.611
bonds (distance) P-C4' energy: -114.631
flat angles C4'-P-C4' energy: -133.630
flat angles P-C4'-P energy: -67.698
tors. eta vs tors. theta energy: -175.026
Dist. restrs. and SS energy: 25.705 (S_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: 83
Temperature: 1.350000
Total energy: -1846.885455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.885455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.214116 (E_RNA)
where:
Base-Base interactions energy: -1322.854
where: short stacking energy: -530.499
Base-Backbone interact. energy: -1.532
local terms energy: -537.828915
where:
bonds (distance) C4'-P energy: -105.182
bonds (distance) P-C4' energy: -97.414
flat angles C4'-P-C4' energy: -115.801
flat angles P-C4'-P energy: -65.400
tors. eta vs tors. theta energy: -154.033
Dist. restrs. and SS energy: 15.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2698.810804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.810804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.207704 (E_RNA)
where:
Base-Base interactions energy: -1904.650
where: short stacking energy: -805.967
Base-Backbone interact. energy: -1.590
local terms energy: -794.967561
where:
bonds (distance) C4'-P energy: -130.068
bonds (distance) P-C4' energy: -145.530
flat angles C4'-P-C4' energy: -161.855
flat angles P-C4'-P energy: -109.282
tors. eta vs tors. theta energy: -248.233
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2623.052334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.052334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.528674 (E_RNA)
where:
Base-Base interactions energy: -1870.563
where: short stacking energy: -781.868
Base-Backbone interact. energy: -0.493
local terms energy: -766.473034
where:
bonds (distance) C4'-P energy: -125.653
bonds (distance) P-C4' energy: -117.384
flat angles C4'-P-C4' energy: -175.551
flat angles P-C4'-P energy: -112.148
tors. eta vs tors. theta energy: -235.737
Dist. restrs. and SS energy: 14.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2577.629587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.629587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.339759 (E_RNA)
where:
Base-Base interactions energy: -1827.163
where: short stacking energy: -762.640
Base-Backbone interact. energy: -0.608
local terms energy: -759.569453
where:
bonds (distance) C4'-P energy: -133.816
bonds (distance) P-C4' energy: -134.702
flat angles C4'-P-C4' energy: -154.054
flat angles P-C4'-P energy: -108.853
tors. eta vs tors. theta energy: -228.144
Dist. restrs. and SS energy: 9.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2469.301681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.301681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.046756 (E_RNA)
where:
Base-Base interactions energy: -1746.733
where: short stacking energy: -711.450
Base-Backbone interact. energy: -2.897
local terms energy: -733.416899
where:
bonds (distance) C4'-P energy: -130.155
bonds (distance) P-C4' energy: -122.207
flat angles C4'-P-C4' energy: -153.915
flat angles P-C4'-P energy: -102.969
tors. eta vs tors. theta energy: -224.171
Dist. restrs. and SS energy: 13.745 (S_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: 84
Temperature: 1.100000
Total energy: -2468.183006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.183006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.771004 (E_RNA)
where:
Base-Base interactions energy: -1745.741
where: short stacking energy: -732.097
Base-Backbone interact. energy: -2.655
local terms energy: -730.374903
where:
bonds (distance) C4'-P energy: -122.644
bonds (distance) P-C4' energy: -116.258
flat angles C4'-P-C4' energy: -152.391
flat angles P-C4'-P energy: -112.179
tors. eta vs tors. theta energy: -226.903
Dist. restrs. and SS energy: 10.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2269.532893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.532893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.580795 (E_RNA)
where:
Base-Base interactions energy: -1595.420
where: short stacking energy: -657.871
Base-Backbone interact. energy: -1.156
local terms energy: -684.004846
where:
bonds (distance) C4'-P energy: -103.069
bonds (distance) P-C4' energy: -135.555
flat angles C4'-P-C4' energy: -149.387
flat angles P-C4'-P energy: -89.296
tors. eta vs tors. theta energy: -206.697
Dist. restrs. and SS energy: 11.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2205.651847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.651847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.257388 (E_RNA)
where:
Base-Base interactions energy: -1575.394
where: short stacking energy: -627.923
Base-Backbone interact. energy: 1.934
local terms energy: -649.797512
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -123.734
flat angles C4'-P-C4' energy: -134.763
flat angles P-C4'-P energy: -82.590
tors. eta vs tors. theta energy: -194.853
Dist. restrs. and SS energy: 17.606 (S_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: 84
Temperature: 1.250000
Total energy: -2093.749174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.749174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.199980 (E_RNA)
where:
Base-Base interactions energy: -1491.893
where: short stacking energy: -607.355
Base-Backbone interact. energy: 2.083
local terms energy: -627.390639
where:
bonds (distance) C4'-P energy: -126.496
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -141.539
flat angles P-C4'-P energy: -85.342
tors. eta vs tors. theta energy: -171.624
Dist. restrs. and SS energy: 23.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1990.070587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.070587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.875669 (E_RNA)
where:
Base-Base interactions energy: -1422.054
where: short stacking energy: -557.046
Base-Backbone interact. energy: 0.846
local terms energy: -585.667904
where:
bonds (distance) C4'-P energy: -92.686
bonds (distance) P-C4' energy: -120.079
flat angles C4'-P-C4' energy: -132.333
flat angles P-C4'-P energy: -79.820
tors. eta vs tors. theta energy: -160.750
Dist. restrs. and SS energy: 16.805 (S_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: 84
Temperature: 1.350000
Total energy: -1820.925372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.925372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.433881 (E_RNA)
where:
Base-Base interactions energy: -1278.531
where: short stacking energy: -505.604
Base-Backbone interact. energy: 3.730
local terms energy: -581.632655
where:
bonds (distance) C4'-P energy: -129.850
bonds (distance) P-C4' energy: -111.990
flat angles C4'-P-C4' energy: -117.352
flat angles P-C4'-P energy: -80.059
tors. eta vs tors. theta energy: -142.382
Dist. restrs. and SS energy: 35.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2692.932684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.932684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.646595 (E_RNA)
where:
Base-Base interactions energy: -1896.352
where: short stacking energy: -776.518
Base-Backbone interact. energy: -2.225
local terms energy: -797.068960
where:
bonds (distance) C4'-P energy: -142.122
bonds (distance) P-C4' energy: -148.130
flat angles C4'-P-C4' energy: -162.713
flat angles P-C4'-P energy: -106.371
tors. eta vs tors. theta energy: -237.733
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2643.732089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.732089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.591164 (E_RNA)
where:
Base-Base interactions energy: -1888.169
where: short stacking energy: -781.333
Base-Backbone interact. energy: -1.066
local terms energy: -767.356132
where:
bonds (distance) C4'-P energy: -130.040
bonds (distance) P-C4' energy: -138.220
flat angles C4'-P-C4' energy: -153.965
flat angles P-C4'-P energy: -105.793
tors. eta vs tors. theta energy: -239.338
Dist. restrs. and SS energy: 12.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2540.380643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.380643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.093609 (E_RNA)
where:
Base-Base interactions energy: -1799.375
where: short stacking energy: -727.468
Base-Backbone interact. energy: -2.500
local terms energy: -749.218816
where:
bonds (distance) C4'-P energy: -136.673
bonds (distance) P-C4' energy: -138.446
flat angles C4'-P-C4' energy: -158.995
flat angles P-C4'-P energy: -101.229
tors. eta vs tors. theta energy: -213.875
Dist. restrs. and SS energy: 10.713 (S_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: -2457.836962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.836962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.357740 (E_RNA)
where:
Base-Base interactions energy: -1732.704
where: short stacking energy: -704.912
Base-Backbone interact. energy: -1.528
local terms energy: -737.125909
where:
bonds (distance) C4'-P energy: -131.516
bonds (distance) P-C4' energy: -139.515
flat angles C4'-P-C4' energy: -159.598
flat angles P-C4'-P energy: -94.765
tors. eta vs tors. theta energy: -211.732
Dist. restrs. and SS energy: 13.521 (S_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: 85
Temperature: 1.100000
Total energy: -2492.203451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.203451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.117870 (E_RNA)
where:
Base-Base interactions energy: -1782.766
where: short stacking energy: -730.706
Base-Backbone interact. energy: -3.451
local terms energy: -713.901080
where:
bonds (distance) C4'-P energy: -125.510
bonds (distance) P-C4' energy: -114.790
flat angles C4'-P-C4' energy: -148.696
flat angles P-C4'-P energy: -92.547
tors. eta vs tors. theta energy: -232.358
Dist. restrs. and SS energy: 7.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2297.511055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.511055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.246667 (E_RNA)
where:
Base-Base interactions energy: -1599.789
where: short stacking energy: -628.751
Base-Backbone interact. energy: 1.056
local terms energy: -707.514017
where:
bonds (distance) C4'-P energy: -123.976
bonds (distance) P-C4' energy: -128.553
flat angles C4'-P-C4' energy: -151.794
flat angles P-C4'-P energy: -100.896
tors. eta vs tors. theta energy: -202.295
Dist. restrs. and SS energy: 8.736 (S_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: 85
Temperature: 1.200000
Total energy: -2225.495693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.495693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.826396 (E_RNA)
where:
Base-Base interactions energy: -1603.129
where: short stacking energy: -677.109
Base-Backbone interact. energy: 1.294
local terms energy: -643.991165
where:
bonds (distance) C4'-P energy: -101.101
bonds (distance) P-C4' energy: -92.267
flat angles C4'-P-C4' energy: -155.858
flat angles P-C4'-P energy: -85.029
tors. eta vs tors. theta energy: -209.736
Dist. restrs. and SS energy: 20.331 (S_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: 85
Temperature: 1.250000
Total energy: -2120.838054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.838054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.059194 (E_RNA)
where:
Base-Base interactions energy: -1525.882
where: short stacking energy: -615.724
Base-Backbone interact. energy: 1.116
local terms energy: -609.292861
where:
bonds (distance) C4'-P energy: -88.443
bonds (distance) P-C4' energy: -126.354
flat angles C4'-P-C4' energy: -133.728
flat angles P-C4'-P energy: -80.669
tors. eta vs tors. theta energy: -180.098
Dist. restrs. and SS energy: 13.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1932.234368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.234368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.410870 (E_RNA)
where:
Base-Base interactions energy: -1360.159
where: short stacking energy: -536.494
Base-Backbone interact. energy: 4.793
local terms energy: -599.044298
where:
bonds (distance) C4'-P energy: -104.806
bonds (distance) P-C4' energy: -132.077
flat angles C4'-P-C4' energy: -121.087
flat angles P-C4'-P energy: -79.670
tors. eta vs tors. theta energy: -161.406
Dist. restrs. and SS energy: 22.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1837.924637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.924637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.211259 (E_RNA)
where:
Base-Base interactions energy: -1320.108
where: short stacking energy: -525.343
Base-Backbone interact. energy: -0.755
local terms energy: -543.348574
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -100.995
flat angles C4'-P-C4' energy: -101.178
flat angles P-C4'-P energy: -87.568
tors. eta vs tors. theta energy: -146.670
Dist. restrs. and SS energy: 26.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2701.998357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.998357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.628944 (E_RNA)
where:
Base-Base interactions energy: -1891.676
where: short stacking energy: -769.320
Base-Backbone interact. energy: -1.778
local terms energy: -810.174985
where:
bonds (distance) C4'-P energy: -140.736
bonds (distance) P-C4' energy: -149.417
flat angles C4'-P-C4' energy: -165.319
flat angles P-C4'-P energy: -111.136
tors. eta vs tors. theta energy: -243.568
Dist. restrs. and SS energy: 1.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2647.060578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.060578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.845843 (E_RNA)
where:
Base-Base interactions energy: -1858.375
where: short stacking energy: -776.842
Base-Backbone interact. energy: -1.556
local terms energy: -799.915484
where:
bonds (distance) C4'-P energy: -138.414
bonds (distance) P-C4' energy: -144.594
flat angles C4'-P-C4' energy: -164.923
flat angles P-C4'-P energy: -118.405
tors. eta vs tors. theta energy: -233.579
Dist. restrs. and SS energy: 12.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2560.380364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.380364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.403760 (E_RNA)
where:
Base-Base interactions energy: -1820.659
where: short stacking energy: -751.692
Base-Backbone interact. energy: -0.828
local terms energy: -754.916646
where:
bonds (distance) C4'-P energy: -116.564
bonds (distance) P-C4' energy: -131.488
flat angles C4'-P-C4' energy: -155.644
flat angles P-C4'-P energy: -117.842
tors. eta vs tors. theta energy: -233.378
Dist. restrs. and SS energy: 16.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2460.977437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.977437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.760558 (E_RNA)
where:
Base-Base interactions energy: -1733.857
where: short stacking energy: -725.399
Base-Backbone interact. energy: -0.379
local terms energy: -741.525422
where:
bonds (distance) C4'-P energy: -134.709
bonds (distance) P-C4' energy: -140.272
flat angles C4'-P-C4' energy: -150.266
flat angles P-C4'-P energy: -93.829
tors. eta vs tors. theta energy: -222.450
Dist. restrs. and SS energy: 14.783 (S_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: 86
Temperature: 1.100000
Total energy: -2485.208625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.208625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.253549 (E_RNA)
where:
Base-Base interactions energy: -1755.489
where: short stacking energy: -692.055
Base-Backbone interact. energy: -2.119
local terms energy: -732.645968
where:
bonds (distance) C4'-P energy: -127.247
bonds (distance) P-C4' energy: -131.996
flat angles C4'-P-C4' energy: -143.536
flat angles P-C4'-P energy: -106.871
tors. eta vs tors. theta energy: -222.996
Dist. restrs. and SS energy: 5.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2308.065926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.065926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.157628 (E_RNA)
where:
Base-Base interactions energy: -1622.900
where: short stacking energy: -692.526
Base-Backbone interact. energy: -0.287
local terms energy: -698.970036
where:
bonds (distance) C4'-P energy: -117.669
bonds (distance) P-C4' energy: -111.275
flat angles C4'-P-C4' energy: -160.515
flat angles P-C4'-P energy: -102.294
tors. eta vs tors. theta energy: -207.218
Dist. restrs. and SS energy: 14.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2226.477598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.477598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.275553 (E_RNA)
where:
Base-Base interactions energy: -1608.546
where: short stacking energy: -630.380
Base-Backbone interact. energy: -0.634
local terms energy: -632.095148
where:
bonds (distance) C4'-P energy: -108.403
bonds (distance) P-C4' energy: -102.207
flat angles C4'-P-C4' energy: -150.903
flat angles P-C4'-P energy: -77.488
tors. eta vs tors. theta energy: -193.094
Dist. restrs. and SS energy: 14.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2151.683507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.683507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.285170 (E_RNA)
where:
Base-Base interactions energy: -1535.779
where: short stacking energy: -604.855
Base-Backbone interact. energy: -2.270
local terms energy: -629.236500
where:
bonds (distance) C4'-P energy: -104.905
bonds (distance) P-C4' energy: -126.804
flat angles C4'-P-C4' energy: -115.066
flat angles P-C4'-P energy: -95.222
tors. eta vs tors. theta energy: -187.238
Dist. restrs. and SS energy: 15.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1961.906696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.906696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.703294 (E_RNA)
where:
Base-Base interactions energy: -1415.680
where: short stacking energy: -531.331
Base-Backbone interact. energy: -1.219
local terms energy: -567.804638
where:
bonds (distance) C4'-P energy: -109.982
bonds (distance) P-C4' energy: -105.139
flat angles C4'-P-C4' energy: -123.047
flat angles P-C4'-P energy: -79.631
tors. eta vs tors. theta energy: -150.006
Dist. restrs. and SS energy: 22.797 (S_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: 86
Temperature: 1.350000
Total energy: -1847.626847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.626847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.566459 (E_RNA)
where:
Base-Base interactions energy: -1303.502
where: short stacking energy: -523.191
Base-Backbone interact. energy: -1.028
local terms energy: -569.036305
where:
bonds (distance) C4'-P energy: -99.069
bonds (distance) P-C4' energy: -99.446
flat angles C4'-P-C4' energy: -128.993
flat angles P-C4'-P energy: -83.864
tors. eta vs tors. theta energy: -157.665
Dist. restrs. and SS energy: 25.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2701.838741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.838741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.960832 (E_RNA)
where:
Base-Base interactions energy: -1902.834
where: short stacking energy: -781.941
Base-Backbone interact. energy: -2.992
local terms energy: -798.135075
where:
bonds (distance) C4'-P energy: -137.534
bonds (distance) P-C4' energy: -147.543
flat angles C4'-P-C4' energy: -170.055
flat angles P-C4'-P energy: -98.156
tors. eta vs tors. theta energy: -244.846
Dist. restrs. and SS energy: 2.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2661.664343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.664343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.053314 (E_RNA)
where:
Base-Base interactions energy: -1886.930
where: short stacking energy: -769.699
Base-Backbone interact. energy: 1.324
local terms energy: -788.446659
where:
bonds (distance) C4'-P energy: -133.314
bonds (distance) P-C4' energy: -139.729
flat angles C4'-P-C4' energy: -172.375
flat angles P-C4'-P energy: -110.937
tors. eta vs tors. theta energy: -232.091
Dist. restrs. and SS energy: 12.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2561.565781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.565781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.772140 (E_RNA)
where:
Base-Base interactions energy: -1806.143
where: short stacking energy: -732.201
Base-Backbone interact. energy: -1.772
local terms energy: -764.856756
where:
bonds (distance) C4'-P energy: -129.949
bonds (distance) P-C4' energy: -140.460
flat angles C4'-P-C4' energy: -156.352
flat angles P-C4'-P energy: -109.594
tors. eta vs tors. theta energy: -228.501
Dist. restrs. and SS energy: 11.206 (S_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: 87
Temperature: 1.050000
Total energy: -2522.107763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.107763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.632887 (E_RNA)
where:
Base-Base interactions energy: -1789.452
where: short stacking energy: -754.857
Base-Backbone interact. energy: 0.378
local terms energy: -739.558657
where:
bonds (distance) C4'-P energy: -120.245
bonds (distance) P-C4' energy: -122.646
flat angles C4'-P-C4' energy: -155.020
flat angles P-C4'-P energy: -109.701
tors. eta vs tors. theta energy: -231.947
Dist. restrs. and SS energy: 6.525 (S_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: 87
Temperature: 1.100000
Total energy: -2394.880032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.880032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.516408 (E_RNA)
where:
Base-Base interactions energy: -1703.092
where: short stacking energy: -673.420
Base-Backbone interact. energy: -1.586
local terms energy: -696.838493
where:
bonds (distance) C4'-P energy: -116.232
bonds (distance) P-C4' energy: -125.654
flat angles C4'-P-C4' energy: -153.939
flat angles P-C4'-P energy: -100.601
tors. eta vs tors. theta energy: -200.413
Dist. restrs. and SS energy: 6.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2341.859283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.859283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.004635 (E_RNA)
where:
Base-Base interactions energy: -1648.428
where: short stacking energy: -698.662
Base-Backbone interact. energy: -2.425
local terms energy: -708.152099
where:
bonds (distance) C4'-P energy: -127.431
bonds (distance) P-C4' energy: -126.326
flat angles C4'-P-C4' energy: -132.897
flat angles P-C4'-P energy: -102.444
tors. eta vs tors. theta energy: -219.055
Dist. restrs. and SS energy: 17.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2224.857867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.857867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.407535 (E_RNA)
where:
Base-Base interactions energy: -1593.961
where: short stacking energy: -650.084
Base-Backbone interact. energy: -3.201
local terms energy: -652.245635
where:
bonds (distance) C4'-P energy: -101.821
bonds (distance) P-C4' energy: -125.727
flat angles C4'-P-C4' energy: -143.884
flat angles P-C4'-P energy: -79.013
tors. eta vs tors. theta energy: -201.801
Dist. restrs. and SS energy: 24.550 (S_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: 87
Temperature: 1.250000
Total energy: -2116.690731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.690731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.642139 (E_RNA)
where:
Base-Base interactions energy: -1490.621
where: short stacking energy: -605.042
Base-Backbone interact. energy: -2.424
local terms energy: -646.596808
where:
bonds (distance) C4'-P energy: -115.361
bonds (distance) P-C4' energy: -116.366
flat angles C4'-P-C4' energy: -148.689
flat angles P-C4'-P energy: -85.685
tors. eta vs tors. theta energy: -180.496
Dist. restrs. and SS energy: 22.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -2005.629059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.629059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.377254 (E_RNA)
where:
Base-Base interactions energy: -1398.606
where: short stacking energy: -560.481
Base-Backbone interact. energy: -0.037
local terms energy: -625.734586
where:
bonds (distance) C4'-P energy: -118.000
bonds (distance) P-C4' energy: -136.718
flat angles C4'-P-C4' energy: -122.687
flat angles P-C4'-P energy: -87.793
tors. eta vs tors. theta energy: -160.537
Dist. restrs. and SS energy: 18.748 (S_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: 87
Temperature: 1.350000
Total energy: -1888.526888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.526888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.104848 (E_RNA)
where:
Base-Base interactions energy: -1354.905
where: short stacking energy: -549.801
Base-Backbone interact. energy: -1.454
local terms energy: -564.746083
where:
bonds (distance) C4'-P energy: -115.530
bonds (distance) P-C4' energy: -95.229
flat angles C4'-P-C4' energy: -130.559
flat angles P-C4'-P energy: -70.588
tors. eta vs tors. theta energy: -152.840
Dist. restrs. and SS energy: 32.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2698.471039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.471039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.835247 (E_RNA)
where:
Base-Base interactions energy: -1899.260
where: short stacking energy: -777.493
Base-Backbone interact. energy: 0.366
local terms energy: -804.941246
where:
bonds (distance) C4'-P energy: -151.071
bonds (distance) P-C4' energy: -131.943
flat angles C4'-P-C4' energy: -167.149
flat angles P-C4'-P energy: -113.496
tors. eta vs tors. theta energy: -241.283
Dist. restrs. and SS energy: 5.364 (S_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: 88
Temperature: 0.950000
Total energy: -2637.953023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.953023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.246562 (E_RNA)
where:
Base-Base interactions energy: -1878.249
where: short stacking energy: -779.945
Base-Backbone interact. energy: -0.841
local terms energy: -769.157083
where:
bonds (distance) C4'-P energy: -138.242
bonds (distance) P-C4' energy: -119.889
flat angles C4'-P-C4' energy: -166.200
flat angles P-C4'-P energy: -101.137
tors. eta vs tors. theta energy: -243.688
Dist. restrs. and SS energy: 10.294 (S_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: 88
Temperature: 1.000000
Total energy: -2592.900502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.900502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.217415 (E_RNA)
where:
Base-Base interactions energy: -1836.016
where: short stacking energy: -761.747
Base-Backbone interact. energy: -2.131
local terms energy: -765.070148
where:
bonds (distance) C4'-P energy: -118.182
bonds (distance) P-C4' energy: -141.335
flat angles C4'-P-C4' energy: -155.166
flat angles P-C4'-P energy: -112.010
tors. eta vs tors. theta energy: -238.377
Dist. restrs. and SS energy: 10.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2477.112120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.112120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.248607 (E_RNA)
where:
Base-Base interactions energy: -1767.161
where: short stacking energy: -723.413
Base-Backbone interact. energy: -0.833
local terms energy: -721.255144
where:
bonds (distance) C4'-P energy: -111.671
bonds (distance) P-C4' energy: -134.416
flat angles C4'-P-C4' energy: -145.743
flat angles P-C4'-P energy: -101.829
tors. eta vs tors. theta energy: -227.596
Dist. restrs. and SS energy: 12.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2451.663759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.663759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.414718 (E_RNA)
where:
Base-Base interactions energy: -1702.879
where: short stacking energy: -672.041
Base-Backbone interact. energy: -0.106
local terms energy: -756.429211
where:
bonds (distance) C4'-P energy: -127.274
bonds (distance) P-C4' energy: -146.017
flat angles C4'-P-C4' energy: -162.149
flat angles P-C4'-P energy: -122.540
tors. eta vs tors. theta energy: -198.449
Dist. restrs. and SS energy: 7.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2333.297502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.297502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.145093 (E_RNA)
where:
Base-Base interactions energy: -1652.086
where: short stacking energy: -682.103
Base-Backbone interact. energy: -1.188
local terms energy: -702.870117
where:
bonds (distance) C4'-P energy: -115.730
bonds (distance) P-C4' energy: -123.378
flat angles C4'-P-C4' energy: -150.410
flat angles P-C4'-P energy: -100.425
tors. eta vs tors. theta energy: -212.927
Dist. restrs. and SS energy: 22.848 (S_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: 88
Temperature: 1.200000
Total energy: -2280.231899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.231899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.686390 (E_RNA)
where:
Base-Base interactions energy: -1603.386
where: short stacking energy: -665.012
Base-Backbone interact. energy: -1.119
local terms energy: -691.181351
where:
bonds (distance) C4'-P energy: -122.607
bonds (distance) P-C4' energy: -129.630
flat angles C4'-P-C4' energy: -142.323
flat angles P-C4'-P energy: -93.294
tors. eta vs tors. theta energy: -203.327
Dist. restrs. and SS energy: 15.454 (S_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: 88
Temperature: 1.250000
Total energy: -2157.747499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.747499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.885740 (E_RNA)
where:
Base-Base interactions energy: -1551.380
where: short stacking energy: -615.156
Base-Backbone interact. energy: 0.998
local terms energy: -620.503700
where:
bonds (distance) C4'-P energy: -113.864
bonds (distance) P-C4' energy: -121.004
flat angles C4'-P-C4' energy: -122.652
flat angles P-C4'-P energy: -66.779
tors. eta vs tors. theta energy: -196.205
Dist. restrs. and SS energy: 13.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1973.035250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.035250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.069098 (E_RNA)
where:
Base-Base interactions energy: -1409.088
where: short stacking energy: -547.747
Base-Backbone interact. energy: 0.374
local terms energy: -576.354802
where:
bonds (distance) C4'-P energy: -105.722
bonds (distance) P-C4' energy: -107.744
flat angles C4'-P-C4' energy: -126.287
flat angles P-C4'-P energy: -80.965
tors. eta vs tors. theta energy: -155.637
Dist. restrs. and SS energy: 12.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1894.084847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.084847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.202628 (E_RNA)
where:
Base-Base interactions energy: -1332.794
where: short stacking energy: -535.518
Base-Backbone interact. energy: 0.110
local terms energy: -591.518868
where:
bonds (distance) C4'-P energy: -112.274
bonds (distance) P-C4' energy: -116.309
flat angles C4'-P-C4' energy: -124.539
flat angles P-C4'-P energy: -79.739
tors. eta vs tors. theta energy: -158.658
Dist. restrs. and SS energy: 30.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2703.907783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.907783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.172981 (E_RNA)
where:
Base-Base interactions energy: -1893.385
where: short stacking energy: -793.281
Base-Backbone interact. energy: -1.346
local terms energy: -816.442035
where:
bonds (distance) C4'-P energy: -148.140
bonds (distance) P-C4' energy: -144.828
flat angles C4'-P-C4' energy: -167.874
flat angles P-C4'-P energy: -116.668
tors. eta vs tors. theta energy: -238.932
Dist. restrs. and SS energy: 7.265 (S_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: 89
Temperature: 0.950000
Total energy: -2687.139328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.139328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.013517 (E_RNA)
where:
Base-Base interactions energy: -1902.449
where: short stacking energy: -777.053
Base-Backbone interact. energy: -1.786
local terms energy: -795.778404
where:
bonds (distance) C4'-P energy: -139.732
bonds (distance) P-C4' energy: -141.259
flat angles C4'-P-C4' energy: -167.672
flat angles P-C4'-P energy: -114.110
tors. eta vs tors. theta energy: -233.005
Dist. restrs. and SS energy: 12.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2577.802688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.802688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.322444 (E_RNA)
where:
Base-Base interactions energy: -1818.468
where: short stacking energy: -755.926
Base-Backbone interact. energy: 0.720
local terms energy: -768.574787
where:
bonds (distance) C4'-P energy: -120.042
bonds (distance) P-C4' energy: -140.476
flat angles C4'-P-C4' energy: -166.470
flat angles P-C4'-P energy: -104.915
tors. eta vs tors. theta energy: -236.670
Dist. restrs. and SS energy: 8.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2496.779093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.779093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.907655 (E_RNA)
where:
Base-Base interactions energy: -1753.681
where: short stacking energy: -708.616
Base-Backbone interact. energy: -1.961
local terms energy: -750.265170
where:
bonds (distance) C4'-P energy: -118.070
bonds (distance) P-C4' energy: -139.296
flat angles C4'-P-C4' energy: -162.037
flat angles P-C4'-P energy: -105.137
tors. eta vs tors. theta energy: -225.726
Dist. restrs. and SS energy: 9.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2377.710706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.710706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.620644 (E_RNA)
where:
Base-Base interactions energy: -1693.736
where: short stacking energy: -709.900
Base-Backbone interact. energy: -2.387
local terms energy: -693.498551
where:
bonds (distance) C4'-P energy: -133.138
bonds (distance) P-C4' energy: -107.297
flat angles C4'-P-C4' energy: -144.037
flat angles P-C4'-P energy: -87.825
tors. eta vs tors. theta energy: -221.201
Dist. restrs. and SS energy: 11.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2308.774402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.774402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.134308 (E_RNA)
where:
Base-Base interactions energy: -1643.496
where: short stacking energy: -670.428
Base-Backbone interact. energy: -2.831
local terms energy: -680.807338
where:
bonds (distance) C4'-P energy: -122.556
bonds (distance) P-C4' energy: -124.296
flat angles C4'-P-C4' energy: -127.469
flat angles P-C4'-P energy: -101.041
tors. eta vs tors. theta energy: -205.445
Dist. restrs. and SS energy: 18.360 (S_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: 89
Temperature: 1.200000
Total energy: -2304.914469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.914469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.452678 (E_RNA)
where:
Base-Base interactions energy: -1645.719
where: short stacking energy: -674.825
Base-Backbone interact. energy: -0.558
local terms energy: -679.176021
where:
bonds (distance) C4'-P energy: -117.727
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -142.538
flat angles P-C4'-P energy: -99.595
tors. eta vs tors. theta energy: -210.501
Dist. restrs. and SS energy: 20.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -2140.418080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.418080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.077792 (E_RNA)
where:
Base-Base interactions energy: -1513.551
where: short stacking energy: -610.560
Base-Backbone interact. energy: 0.325
local terms energy: -637.851753
where:
bonds (distance) C4'-P energy: -122.269
bonds (distance) P-C4' energy: -113.616
flat angles C4'-P-C4' energy: -134.455
flat angles P-C4'-P energy: -94.586
tors. eta vs tors. theta energy: -172.926
Dist. restrs. and SS energy: 10.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -2060.746787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.746787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.063053 (E_RNA)
where:
Base-Base interactions energy: -1460.670
where: short stacking energy: -609.622
Base-Backbone interact. energy: -2.857
local terms energy: -614.535565
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -105.711
flat angles C4'-P-C4' energy: -140.494
flat angles P-C4'-P energy: -80.286
tors. eta vs tors. theta energy: -180.697
Dist. restrs. and SS energy: 17.316 (S_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: 89
Temperature: 1.350000
Total energy: -1891.892561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.892561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.589284 (E_RNA)
where:
Base-Base interactions energy: -1318.485
where: short stacking energy: -532.702
Base-Backbone interact. energy: -0.237
local terms energy: -597.867453
where:
bonds (distance) C4'-P energy: -114.107
bonds (distance) P-C4' energy: -118.339
flat angles C4'-P-C4' energy: -121.247
flat angles P-C4'-P energy: -85.138
tors. eta vs tors. theta energy: -159.036
Dist. restrs. and SS energy: 24.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2710.740758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.740758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.719851 (E_RNA)
where:
Base-Base interactions energy: -1903.494
where: short stacking energy: -803.605
Base-Backbone interact. energy: -2.720
local terms energy: -815.505443
where:
bonds (distance) C4'-P energy: -148.027
bonds (distance) P-C4' energy: -148.019
flat angles C4'-P-C4' energy: -159.003
flat angles P-C4'-P energy: -118.791
tors. eta vs tors. theta energy: -241.665
Dist. restrs. and SS energy: 10.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2667.741115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.741115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.883121 (E_RNA)
where:
Base-Base interactions energy: -1885.831
where: short stacking energy: -795.572
Base-Backbone interact. energy: -2.111
local terms energy: -789.941251
where:
bonds (distance) C4'-P energy: -139.680
bonds (distance) P-C4' energy: -132.908
flat angles C4'-P-C4' energy: -164.633
flat angles P-C4'-P energy: -109.991
tors. eta vs tors. theta energy: -242.729
Dist. restrs. and SS energy: 10.142 (S_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: 90
Temperature: 1.000000
Total energy: -2598.364746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.364746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.134770 (E_RNA)
where:
Base-Base interactions energy: -1832.885
where: short stacking energy: -762.930
Base-Backbone interact. energy: 1.279
local terms energy: -774.528559
where:
bonds (distance) C4'-P energy: -127.909
bonds (distance) P-C4' energy: -139.566
flat angles C4'-P-C4' energy: -157.626
flat angles P-C4'-P energy: -113.547
tors. eta vs tors. theta energy: -235.881
Dist. restrs. and SS energy: 7.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2486.447014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.447014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.044013 (E_RNA)
where:
Base-Base interactions energy: -1765.648
where: short stacking energy: -706.176
Base-Backbone interact. energy: -2.545
local terms energy: -729.851356
where:
bonds (distance) C4'-P energy: -115.453
bonds (distance) P-C4' energy: -131.646
flat angles C4'-P-C4' energy: -150.877
flat angles P-C4'-P energy: -115.629
tors. eta vs tors. theta energy: -216.246
Dist. restrs. and SS energy: 11.597 (S_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: 90
Temperature: 1.100000
Total energy: -2423.824610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.824610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.172549 (E_RNA)
where:
Base-Base interactions energy: -1736.971
where: short stacking energy: -716.315
Base-Backbone interact. energy: -1.864
local terms energy: -699.337853
where:
bonds (distance) C4'-P energy: -128.147
bonds (distance) P-C4' energy: -112.223
flat angles C4'-P-C4' energy: -142.834
flat angles P-C4'-P energy: -96.694
tors. eta vs tors. theta energy: -219.439
Dist. restrs. and SS energy: 14.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2334.520429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.520429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.993347 (E_RNA)
where:
Base-Base interactions energy: -1657.115
where: short stacking energy: -680.940
Base-Backbone interact. energy: -3.079
local terms energy: -684.799746
where:
bonds (distance) C4'-P energy: -119.508
bonds (distance) P-C4' energy: -112.054
flat angles C4'-P-C4' energy: -134.790
flat angles P-C4'-P energy: -105.049
tors. eta vs tors. theta energy: -213.398
Dist. restrs. and SS energy: 10.473 (S_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: 90
Temperature: 1.200000
Total energy: -2219.258098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.258098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.321364 (E_RNA)
where:
Base-Base interactions energy: -1554.270
where: short stacking energy: -637.156
Base-Backbone interact. energy: -2.596
local terms energy: -679.455767
where:
bonds (distance) C4'-P energy: -116.845
bonds (distance) P-C4' energy: -119.933
flat angles C4'-P-C4' energy: -152.476
flat angles P-C4'-P energy: -94.630
tors. eta vs tors. theta energy: -195.572
Dist. restrs. and SS energy: 17.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2091.011914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.011914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.871787 (E_RNA)
where:
Base-Base interactions energy: -1479.871
where: short stacking energy: -588.566
Base-Backbone interact. energy: -0.643
local terms energy: -627.358559
where:
bonds (distance) C4'-P energy: -109.941
bonds (distance) P-C4' energy: -117.739
flat angles C4'-P-C4' energy: -137.277
flat angles P-C4'-P energy: -79.212
tors. eta vs tors. theta energy: -183.190
Dist. restrs. and SS energy: 16.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -2078.819055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.819055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.848601 (E_RNA)
where:
Base-Base interactions energy: -1472.167
where: short stacking energy: -597.019
Base-Backbone interact. energy: -2.684
local terms energy: -623.998135
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -119.182
flat angles C4'-P-C4' energy: -129.332
flat angles P-C4'-P energy: -90.125
tors. eta vs tors. theta energy: -181.964
Dist. restrs. and SS energy: 20.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1843.413684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.413684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.470775 (E_RNA)
where:
Base-Base interactions energy: -1320.885
where: short stacking energy: -525.980
Base-Backbone interact. energy: 4.427
local terms energy: -554.012778
where:
bonds (distance) C4'-P energy: -102.189
bonds (distance) P-C4' energy: -95.081
flat angles C4'-P-C4' energy: -124.352
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -160.158
Dist. restrs. and SS energy: 27.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2736.629686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.629686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.539530 (E_RNA)
where:
Base-Base interactions energy: -1933.742
where: short stacking energy: -784.525
Base-Backbone interact. energy: -0.441
local terms energy: -811.357172
where:
bonds (distance) C4'-P energy: -138.184
bonds (distance) P-C4' energy: -159.420
flat angles C4'-P-C4' energy: -161.628
flat angles P-C4'-P energy: -119.359
tors. eta vs tors. theta energy: -232.767
Dist. restrs. and SS energy: 8.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2676.557949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.557949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.663807 (E_RNA)
where:
Base-Base interactions energy: -1896.507
where: short stacking energy: -785.254
Base-Backbone interact. energy: -2.178
local terms energy: -784.977975
where:
bonds (distance) C4'-P energy: -137.384
bonds (distance) P-C4' energy: -121.983
flat angles C4'-P-C4' energy: -164.695
flat angles P-C4'-P energy: -120.103
tors. eta vs tors. theta energy: -240.814
Dist. restrs. and SS energy: 7.106 (S_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: 91
Temperature: 1.000000
Total energy: -2604.867713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.867713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.230298 (E_RNA)
where:
Base-Base interactions energy: -1849.170
where: short stacking energy: -763.594
Base-Backbone interact. energy: -0.162
local terms energy: -760.897557
where:
bonds (distance) C4'-P energy: -131.526
bonds (distance) P-C4' energy: -118.569
flat angles C4'-P-C4' energy: -157.963
flat angles P-C4'-P energy: -115.495
tors. eta vs tors. theta energy: -237.344
Dist. restrs. and SS energy: 5.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2492.342351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.342351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.270976 (E_RNA)
where:
Base-Base interactions energy: -1791.147
where: short stacking energy: -743.047
Base-Backbone interact. energy: 3.763
local terms energy: -716.887695
where:
bonds (distance) C4'-P energy: -121.829
bonds (distance) P-C4' energy: -137.395
flat angles C4'-P-C4' energy: -146.596
flat angles P-C4'-P energy: -89.560
tors. eta vs tors. theta energy: -221.508
Dist. restrs. and SS energy: 11.929 (S_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: 91
Temperature: 1.100000
Total energy: -2413.046542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.046542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.078309 (E_RNA)
where:
Base-Base interactions energy: -1706.041
where: short stacking energy: -692.999
Base-Backbone interact. energy: -1.220
local terms energy: -714.817654
where:
bonds (distance) C4'-P energy: -115.431
bonds (distance) P-C4' energy: -134.785
flat angles C4'-P-C4' energy: -153.675
flat angles P-C4'-P energy: -94.913
tors. eta vs tors. theta energy: -216.014
Dist. restrs. and SS energy: 9.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2338.372073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.372073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.690552 (E_RNA)
where:
Base-Base interactions energy: -1661.358
where: short stacking energy: -687.343
Base-Backbone interact. energy: -0.260
local terms energy: -689.072889
where:
bonds (distance) C4'-P energy: -98.674
bonds (distance) P-C4' energy: -118.134
flat angles C4'-P-C4' energy: -156.956
flat angles P-C4'-P energy: -100.073
tors. eta vs tors. theta energy: -215.236
Dist. restrs. and SS energy: 12.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2256.436461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.436461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.469295 (E_RNA)
where:
Base-Base interactions energy: -1580.475
where: short stacking energy: -646.100
Base-Backbone interact. energy: 0.048
local terms energy: -690.042147
where:
bonds (distance) C4'-P energy: -119.484
bonds (distance) P-C4' energy: -120.517
flat angles C4'-P-C4' energy: -139.843
flat angles P-C4'-P energy: -107.398
tors. eta vs tors. theta energy: -202.801
Dist. restrs. and SS energy: 14.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2164.016015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.016015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.643706 (E_RNA)
where:
Base-Base interactions energy: -1537.809
where: short stacking energy: -642.820
Base-Backbone interact. energy: -3.977
local terms energy: -637.857780
where:
bonds (distance) C4'-P energy: -109.294
bonds (distance) P-C4' energy: -96.347
flat angles C4'-P-C4' energy: -135.376
flat angles P-C4'-P energy: -97.085
tors. eta vs tors. theta energy: -199.756
Dist. restrs. and SS energy: 15.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -2052.504020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.504020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.851225 (E_RNA)
where:
Base-Base interactions energy: -1427.026
where: short stacking energy: -532.570
Base-Backbone interact. energy: -4.127
local terms energy: -631.697593
where:
bonds (distance) C4'-P energy: -119.519
bonds (distance) P-C4' energy: -122.771
flat angles C4'-P-C4' energy: -135.294
flat angles P-C4'-P energy: -71.856
tors. eta vs tors. theta energy: -182.258
Dist. restrs. and SS energy: 10.347 (S_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: 91
Temperature: 1.350000
Total energy: -1860.237094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.237094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.233326 (E_RNA)
where:
Base-Base interactions energy: -1297.659
where: short stacking energy: -508.415
Base-Backbone interact. energy: -4.767
local terms energy: -589.807189
where:
bonds (distance) C4'-P energy: -118.355
bonds (distance) P-C4' energy: -114.490
flat angles C4'-P-C4' energy: -118.759
flat angles P-C4'-P energy: -72.228
tors. eta vs tors. theta energy: -165.975
Dist. restrs. and SS energy: 31.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2735.648584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.648584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.421015 (E_RNA)
where:
Base-Base interactions energy: -1935.861
where: short stacking energy: -812.161
Base-Backbone interact. energy: -2.524
local terms energy: -806.036464
where:
bonds (distance) C4'-P energy: -131.789
bonds (distance) P-C4' energy: -138.493
flat angles C4'-P-C4' energy: -169.882
flat angles P-C4'-P energy: -120.634
tors. eta vs tors. theta energy: -245.240
Dist. restrs. and SS energy: 8.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2668.516860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.516860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.131729 (E_RNA)
where:
Base-Base interactions energy: -1875.742
where: short stacking energy: -770.650
Base-Backbone interact. energy: -2.894
local terms energy: -797.495566
where:
bonds (distance) C4'-P energy: -134.251
bonds (distance) P-C4' energy: -147.761
flat angles C4'-P-C4' energy: -164.937
flat angles P-C4'-P energy: -106.075
tors. eta vs tors. theta energy: -244.471
Dist. restrs. and SS energy: 7.615 (S_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: 92
Temperature: 1.000000
Total energy: -2603.388270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.388270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.511710 (E_RNA)
where:
Base-Base interactions energy: -1823.778
where: short stacking energy: -761.606
Base-Backbone interact. energy: -2.670
local terms energy: -786.063425
where:
bonds (distance) C4'-P energy: -139.648
bonds (distance) P-C4' energy: -134.938
flat angles C4'-P-C4' energy: -159.650
flat angles P-C4'-P energy: -106.784
tors. eta vs tors. theta energy: -245.045
Dist. restrs. and SS energy: 9.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2488.800449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.800449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.263039 (E_RNA)
where:
Base-Base interactions energy: -1780.789
where: short stacking energy: -725.737
Base-Backbone interact. energy: -0.693
local terms energy: -718.781383
where:
bonds (distance) C4'-P energy: -104.235
bonds (distance) P-C4' energy: -141.176
flat angles C4'-P-C4' energy: -155.739
flat angles P-C4'-P energy: -99.404
tors. eta vs tors. theta energy: -218.228
Dist. restrs. and SS energy: 11.463 (S_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: 92
Temperature: 1.100000
Total energy: -2423.855243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.855243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.115834 (E_RNA)
where:
Base-Base interactions energy: -1732.206
where: short stacking energy: -705.078
Base-Backbone interact. energy: 0.087
local terms energy: -702.996687
where:
bonds (distance) C4'-P energy: -117.536
bonds (distance) P-C4' energy: -132.114
flat angles C4'-P-C4' energy: -138.349
flat angles P-C4'-P energy: -96.965
tors. eta vs tors. theta energy: -218.033
Dist. restrs. and SS energy: 11.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2346.706036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.706036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.074598 (E_RNA)
where:
Base-Base interactions energy: -1674.643
where: short stacking energy: -683.655
Base-Backbone interact. energy: 1.605
local terms energy: -686.036022
where:
bonds (distance) C4'-P energy: -119.744
bonds (distance) P-C4' energy: -120.100
flat angles C4'-P-C4' energy: -138.488
flat angles P-C4'-P energy: -89.465
tors. eta vs tors. theta energy: -218.238
Dist. restrs. and SS energy: 12.369 (S_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: 92
Temperature: 1.200000
Total energy: -2246.946868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.946868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.229096 (E_RNA)
where:
Base-Base interactions energy: -1624.402
where: short stacking energy: -659.246
Base-Backbone interact. energy: -2.625
local terms energy: -633.202054
where:
bonds (distance) C4'-P energy: -114.011
bonds (distance) P-C4' energy: -87.360
flat angles C4'-P-C4' energy: -138.790
flat angles P-C4'-P energy: -85.767
tors. eta vs tors. theta energy: -207.275
Dist. restrs. and SS energy: 13.282 (S_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: 92
Temperature: 1.250000
Total energy: -2160.874302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.874302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.556720 (E_RNA)
where:
Base-Base interactions energy: -1513.966
where: short stacking energy: -595.756
Base-Backbone interact. energy: 1.304
local terms energy: -671.895395
where:
bonds (distance) C4'-P energy: -129.543
bonds (distance) P-C4' energy: -131.004
flat angles C4'-P-C4' energy: -134.982
flat angles P-C4'-P energy: -84.431
tors. eta vs tors. theta energy: -191.936
Dist. restrs. and SS energy: 23.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -2054.764487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.764487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.542819 (E_RNA)
where:
Base-Base interactions energy: -1499.504
where: short stacking energy: -586.071
Base-Backbone interact. energy: -1.395
local terms energy: -566.643199
where:
bonds (distance) C4'-P energy: -100.511
bonds (distance) P-C4' energy: -94.597
flat angles C4'-P-C4' energy: -135.609
flat angles P-C4'-P energy: -65.152
tors. eta vs tors. theta energy: -170.775
Dist. restrs. and SS energy: 12.778 (S_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: 92
Temperature: 1.350000
Total energy: -1874.144125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.144125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.924698 (E_RNA)
where:
Base-Base interactions energy: -1299.443
where: short stacking energy: -541.299
Base-Backbone interact. energy: 1.063
local terms energy: -601.544473
where:
bonds (distance) C4'-P energy: -115.397
bonds (distance) P-C4' energy: -111.229
flat angles C4'-P-C4' energy: -132.242
flat angles P-C4'-P energy: -73.948
tors. eta vs tors. theta energy: -168.728
Dist. restrs. and SS energy: 25.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2730.047465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.047465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.300098 (E_RNA)
where:
Base-Base interactions energy: -1916.801
where: short stacking energy: -799.486
Base-Backbone interact. energy: -0.664
local terms energy: -821.835695
where:
bonds (distance) C4'-P energy: -146.563
bonds (distance) P-C4' energy: -139.522
flat angles C4'-P-C4' energy: -166.606
flat angles P-C4'-P energy: -119.501
tors. eta vs tors. theta energy: -249.644
Dist. restrs. and SS energy: 9.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2652.496366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.496366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.253635 (E_RNA)
where:
Base-Base interactions energy: -1864.340
where: short stacking energy: -785.017
Base-Backbone interact. energy: -2.351
local terms energy: -794.562565
where:
bonds (distance) C4'-P energy: -127.375
bonds (distance) P-C4' energy: -146.740
flat angles C4'-P-C4' energy: -157.260
flat angles P-C4'-P energy: -117.547
tors. eta vs tors. theta energy: -245.641
Dist. restrs. and SS energy: 8.757 (S_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: 93
Temperature: 1.000000
Total energy: -2579.364938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.364938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.565336 (E_RNA)
where:
Base-Base interactions energy: -1818.406
where: short stacking energy: -760.669
Base-Backbone interact. energy: -1.928
local terms energy: -767.231054
where:
bonds (distance) C4'-P energy: -129.155
bonds (distance) P-C4' energy: -125.216
flat angles C4'-P-C4' energy: -151.273
flat angles P-C4'-P energy: -113.747
tors. eta vs tors. theta energy: -247.839
Dist. restrs. and SS energy: 8.200 (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: 93
Temperature: 1.050000
Total energy: -2469.401277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.401277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.153090 (E_RNA)
where:
Base-Base interactions energy: -1753.674
where: short stacking energy: -722.032
Base-Backbone interact. energy: 2.179
local terms energy: -733.657950
where:
bonds (distance) C4'-P energy: -125.610
bonds (distance) P-C4' energy: -123.742
flat angles C4'-P-C4' energy: -155.709
flat angles P-C4'-P energy: -112.374
tors. eta vs tors. theta energy: -216.224
Dist. restrs. and SS energy: 15.752 (S_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: 93
Temperature: 1.100000
Total energy: -2420.063521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.063521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.528357 (E_RNA)
where:
Base-Base interactions energy: -1714.404
where: short stacking energy: -714.934
Base-Backbone interact. energy: -2.769
local terms energy: -716.354580
where:
bonds (distance) C4'-P energy: -127.758
bonds (distance) P-C4' energy: -125.500
flat angles C4'-P-C4' energy: -148.668
flat angles P-C4'-P energy: -93.356
tors. eta vs tors. theta energy: -221.073
Dist. restrs. and SS energy: 13.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2292.763214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.763214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.630988 (E_RNA)
where:
Base-Base interactions energy: -1609.633
where: short stacking energy: -664.705
Base-Backbone interact. energy: -1.834
local terms energy: -702.163894
where:
bonds (distance) C4'-P energy: -117.399
bonds (distance) P-C4' energy: -124.641
flat angles C4'-P-C4' energy: -145.347
flat angles P-C4'-P energy: -99.512
tors. eta vs tors. theta energy: -215.266
Dist. restrs. and SS energy: 20.868 (S_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: 93
Temperature: 1.200000
Total energy: -2250.894053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.894053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.318109 (E_RNA)
where:
Base-Base interactions energy: -1585.666
where: short stacking energy: -646.614
Base-Backbone interact. energy: -1.380
local terms energy: -673.271195
where:
bonds (distance) C4'-P energy: -100.145
bonds (distance) P-C4' energy: -125.982
flat angles C4'-P-C4' energy: -150.466
flat angles P-C4'-P energy: -97.366
tors. eta vs tors. theta energy: -199.313
Dist. restrs. and SS energy: 9.424 (S_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: 93
Temperature: 1.250000
Total energy: -2170.232674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.232674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.164038 (E_RNA)
where:
Base-Base interactions energy: -1560.620
where: short stacking energy: -638.045
Base-Backbone interact. energy: 0.318
local terms energy: -626.862121
where:
bonds (distance) C4'-P energy: -87.604
bonds (distance) P-C4' energy: -112.116
flat angles C4'-P-C4' energy: -151.145
flat angles P-C4'-P energy: -76.157
tors. eta vs tors. theta energy: -199.840
Dist. restrs. and SS energy: 16.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -2020.762655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.762655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.780047 (E_RNA)
where:
Base-Base interactions energy: -1447.538
where: short stacking energy: -586.119
Base-Backbone interact. energy: -1.902
local terms energy: -594.340131
where:
bonds (distance) C4'-P energy: -97.375
bonds (distance) P-C4' energy: -121.783
flat angles C4'-P-C4' energy: -124.755
flat angles P-C4'-P energy: -73.668
tors. eta vs tors. theta energy: -176.759
Dist. restrs. and SS energy: 23.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1875.352671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.352671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.096630 (E_RNA)
where:
Base-Base interactions energy: -1305.355
where: short stacking energy: -510.132
Base-Backbone interact. energy: -3.387
local terms energy: -589.355025
where:
bonds (distance) C4'-P energy: -115.457
bonds (distance) P-C4' energy: -101.921
flat angles C4'-P-C4' energy: -129.260
flat angles P-C4'-P energy: -83.943
tors. eta vs tors. theta energy: -158.774
Dist. restrs. and SS energy: 22.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2719.253710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.253710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.974918 (E_RNA)
where:
Base-Base interactions energy: -1921.998
where: short stacking energy: -799.043
Base-Backbone interact. energy: -0.507
local terms energy: -806.469952
where:
bonds (distance) C4'-P energy: -140.823
bonds (distance) P-C4' energy: -141.887
flat angles C4'-P-C4' energy: -170.554
flat angles P-C4'-P energy: -110.258
tors. eta vs tors. theta energy: -242.949
Dist. restrs. and SS energy: 9.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2687.720343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.720343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.003953 (E_RNA)
where:
Base-Base interactions energy: -1894.443
where: short stacking energy: -779.471
Base-Backbone interact. energy: 5.499
local terms energy: -804.059910
where:
bonds (distance) C4'-P energy: -145.684
bonds (distance) P-C4' energy: -143.360
flat angles C4'-P-C4' energy: -167.748
flat angles P-C4'-P energy: -111.370
tors. eta vs tors. theta energy: -235.898
Dist. restrs. and SS energy: 5.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2562.704728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.704728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.022006 (E_RNA)
where:
Base-Base interactions energy: -1785.694
where: short stacking energy: -754.664
Base-Backbone interact. energy: 0.037
local terms energy: -784.364480
where:
bonds (distance) C4'-P energy: -135.906
bonds (distance) P-C4' energy: -148.500
flat angles C4'-P-C4' energy: -157.473
flat angles P-C4'-P energy: -106.346
tors. eta vs tors. theta energy: -236.140
Dist. restrs. and SS energy: 7.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2458.605347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.605347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.808186 (E_RNA)
where:
Base-Base interactions energy: -1730.303
where: short stacking energy: -696.103
Base-Backbone interact. energy: -2.851
local terms energy: -741.653937
where:
bonds (distance) C4'-P energy: -136.035
bonds (distance) P-C4' energy: -130.931
flat angles C4'-P-C4' energy: -161.853
flat angles P-C4'-P energy: -103.117
tors. eta vs tors. theta energy: -209.719
Dist. restrs. and SS energy: 16.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2420.222540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.222540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.914648 (E_RNA)
where:
Base-Base interactions energy: -1682.482
where: short stacking energy: -682.877
Base-Backbone interact. energy: -2.821
local terms energy: -743.611657
where:
bonds (distance) C4'-P energy: -129.177
bonds (distance) P-C4' energy: -140.725
flat angles C4'-P-C4' energy: -158.041
flat angles P-C4'-P energy: -93.671
tors. eta vs tors. theta energy: -221.998
Dist. restrs. and SS energy: 8.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2345.817563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.817563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.344119 (E_RNA)
where:
Base-Base interactions energy: -1660.639
where: short stacking energy: -669.229
Base-Backbone interact. energy: -2.184
local terms energy: -698.520631
where:
bonds (distance) C4'-P energy: -129.693
bonds (distance) P-C4' energy: -106.839
flat angles C4'-P-C4' energy: -150.848
flat angles P-C4'-P energy: -94.967
tors. eta vs tors. theta energy: -216.175
Dist. restrs. and SS energy: 15.527 (S_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: 94
Temperature: 1.200000
Total energy: -2221.233148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.233148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.254632 (E_RNA)
where:
Base-Base interactions energy: -1579.111
where: short stacking energy: -629.999
Base-Backbone interact. energy: -1.493
local terms energy: -661.649870
where:
bonds (distance) C4'-P energy: -100.994
bonds (distance) P-C4' energy: -115.041
flat angles C4'-P-C4' energy: -139.687
flat angles P-C4'-P energy: -110.099
tors. eta vs tors. theta energy: -195.829
Dist. restrs. and SS energy: 21.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -2117.767006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.767006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.466004 (E_RNA)
where:
Base-Base interactions energy: -1530.521
where: short stacking energy: -607.392
Base-Backbone interact. energy: -2.454
local terms energy: -607.490663
where:
bonds (distance) C4'-P energy: -107.963
bonds (distance) P-C4' energy: -114.880
flat angles C4'-P-C4' energy: -127.579
flat angles P-C4'-P energy: -80.764
tors. eta vs tors. theta energy: -176.304
Dist. restrs. and SS energy: 22.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -2023.723371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.723371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.767794 (E_RNA)
where:
Base-Base interactions energy: -1436.133
where: short stacking energy: -565.911
Base-Backbone interact. energy: -2.186
local terms energy: -598.448894
where:
bonds (distance) C4'-P energy: -113.963
bonds (distance) P-C4' energy: -114.784
flat angles C4'-P-C4' energy: -134.200
flat angles P-C4'-P energy: -62.738
tors. eta vs tors. theta energy: -172.764
Dist. restrs. and SS energy: 13.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1812.780142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.780142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.462307 (E_RNA)
where:
Base-Base interactions energy: -1287.804
where: short stacking energy: -521.659
Base-Backbone interact. energy: 2.102
local terms energy: -561.760449
where:
bonds (distance) C4'-P energy: -103.455
bonds (distance) P-C4' energy: -111.465
flat angles C4'-P-C4' energy: -131.197
flat angles P-C4'-P energy: -62.592
tors. eta vs tors. theta energy: -153.051
Dist. restrs. and SS energy: 34.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2735.951801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.951801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.130828 (E_RNA)
where:
Base-Base interactions energy: -1928.816
where: short stacking energy: -808.882
Base-Backbone interact. energy: -1.747
local terms energy: -813.567583
where:
bonds (distance) C4'-P energy: -143.047
bonds (distance) P-C4' energy: -143.472
flat angles C4'-P-C4' energy: -164.351
flat angles P-C4'-P energy: -118.642
tors. eta vs tors. theta energy: -244.056
Dist. restrs. and SS energy: 8.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2667.019925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.019925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.206122 (E_RNA)
where:
Base-Base interactions energy: -1855.070
where: short stacking energy: -771.133
Base-Backbone interact. energy: 1.090
local terms energy: -816.226357
where:
bonds (distance) C4'-P energy: -148.889
bonds (distance) P-C4' energy: -137.847
flat angles C4'-P-C4' energy: -163.740
flat angles P-C4'-P energy: -117.399
tors. eta vs tors. theta energy: -248.352
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2551.309121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.309121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.186626 (E_RNA)
where:
Base-Base interactions energy: -1817.681
where: short stacking energy: -778.503
Base-Backbone interact. energy: 4.103
local terms energy: -749.608091
where:
bonds (distance) C4'-P energy: -127.360
bonds (distance) P-C4' energy: -121.000
flat angles C4'-P-C4' energy: -152.953
flat angles P-C4'-P energy: -107.124
tors. eta vs tors. theta energy: -241.170
Dist. restrs. and SS energy: 11.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2453.106309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.106309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.431943 (E_RNA)
where:
Base-Base interactions energy: -1730.788
where: short stacking energy: -689.024
Base-Backbone interact. energy: -1.668
local terms energy: -728.976045
where:
bonds (distance) C4'-P energy: -120.025
bonds (distance) P-C4' energy: -136.153
flat angles C4'-P-C4' energy: -150.631
flat angles P-C4'-P energy: -105.030
tors. eta vs tors. theta energy: -217.137
Dist. restrs. and SS energy: 8.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2403.844672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.844672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.641741 (E_RNA)
where:
Base-Base interactions energy: -1699.836
where: short stacking energy: -712.331
Base-Backbone interact. energy: 0.143
local terms energy: -715.949283
where:
bonds (distance) C4'-P energy: -108.574
bonds (distance) P-C4' energy: -125.619
flat angles C4'-P-C4' energy: -162.634
flat angles P-C4'-P energy: -106.619
tors. eta vs tors. theta energy: -212.503
Dist. restrs. and SS energy: 11.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2339.817025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.817025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.149143 (E_RNA)
where:
Base-Base interactions energy: -1656.547
where: short stacking energy: -665.340
Base-Backbone interact. energy: -3.661
local terms energy: -693.941201
where:
bonds (distance) C4'-P energy: -133.966
bonds (distance) P-C4' energy: -111.158
flat angles C4'-P-C4' energy: -145.833
flat angles P-C4'-P energy: -91.136
tors. eta vs tors. theta energy: -211.847
Dist. restrs. and SS energy: 14.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2189.118240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.118240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.203675 (E_RNA)
where:
Base-Base interactions energy: -1546.779
where: short stacking energy: -614.764
Base-Backbone interact. energy: -1.469
local terms energy: -650.955344
where:
bonds (distance) C4'-P energy: -113.268
bonds (distance) P-C4' energy: -110.105
flat angles C4'-P-C4' energy: -144.858
flat angles P-C4'-P energy: -98.482
tors. eta vs tors. theta energy: -184.242
Dist. restrs. and SS energy: 10.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2110.930823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.930823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.915860 (E_RNA)
where:
Base-Base interactions energy: -1497.205
where: short stacking energy: -616.528
Base-Backbone interact. energy: -1.111
local terms energy: -627.599888
where:
bonds (distance) C4'-P energy: -113.803
bonds (distance) P-C4' energy: -108.040
flat angles C4'-P-C4' energy: -125.171
flat angles P-C4'-P energy: -96.431
tors. eta vs tors. theta energy: -184.154
Dist. restrs. and SS energy: 14.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -2031.780563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.780563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.325858 (E_RNA)
where:
Base-Base interactions energy: -1454.249
where: short stacking energy: -579.913
Base-Backbone interact. energy: -3.372
local terms energy: -594.705299
where:
bonds (distance) C4'-P energy: -89.570
bonds (distance) P-C4' energy: -116.828
flat angles C4'-P-C4' energy: -127.664
flat angles P-C4'-P energy: -79.559
tors. eta vs tors. theta energy: -181.084
Dist. restrs. and SS energy: 20.545 (S_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: 95
Temperature: 1.350000
Total energy: -1869.628223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.628223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.786311 (E_RNA)
where:
Base-Base interactions energy: -1322.808
where: short stacking energy: -516.345
Base-Backbone interact. energy: 0.798
local terms energy: -576.776932
where:
bonds (distance) C4'-P energy: -123.768
bonds (distance) P-C4' energy: -118.952
flat angles C4'-P-C4' energy: -109.198
flat angles P-C4'-P energy: -80.277
tors. eta vs tors. theta energy: -144.581
Dist. restrs. and SS energy: 29.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2725.265697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.265697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.022936 (E_RNA)
where:
Base-Base interactions energy: -1939.246
where: short stacking energy: -812.470
Base-Backbone interact. energy: -2.488
local terms energy: -787.289042
where:
bonds (distance) C4'-P energy: -139.287
bonds (distance) P-C4' energy: -120.533
flat angles C4'-P-C4' energy: -164.824
flat angles P-C4'-P energy: -111.185
tors. eta vs tors. theta energy: -251.460
Dist. restrs. and SS energy: 3.757 (S_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: 96
Temperature: 0.950000
Total energy: -2640.688909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.688909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.483785 (E_RNA)
where:
Base-Base interactions energy: -1876.136
where: short stacking energy: -775.176
Base-Backbone interact. energy: -0.468
local terms energy: -772.880122
where:
bonds (distance) C4'-P energy: -131.610
bonds (distance) P-C4' energy: -138.651
flat angles C4'-P-C4' energy: -157.168
flat angles P-C4'-P energy: -108.573
tors. eta vs tors. theta energy: -236.879
Dist. restrs. and SS energy: 8.795 (S_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: 96
Temperature: 1.000000
Total energy: -2600.716440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.716440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.151290 (E_RNA)
where:
Base-Base interactions energy: -1873.328
where: short stacking energy: -781.638
Base-Backbone interact. energy: -2.496
local terms energy: -736.326639
where:
bonds (distance) C4'-P energy: -119.669
bonds (distance) P-C4' energy: -122.075
flat angles C4'-P-C4' energy: -157.065
flat angles P-C4'-P energy: -99.066
tors. eta vs tors. theta energy: -238.452
Dist. restrs. and SS energy: 11.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2488.119789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.119789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.714595 (E_RNA)
where:
Base-Base interactions energy: -1786.171
where: short stacking energy: -736.181
Base-Backbone interact. energy: -1.939
local terms energy: -714.604521
where:
bonds (distance) C4'-P energy: -113.142
bonds (distance) P-C4' energy: -122.455
flat angles C4'-P-C4' energy: -155.249
flat angles P-C4'-P energy: -102.269
tors. eta vs tors. theta energy: -221.488
Dist. restrs. and SS energy: 14.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2432.011674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.011674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.069082 (E_RNA)
where:
Base-Base interactions energy: -1734.644
where: short stacking energy: -706.724
Base-Backbone interact. energy: -2.376
local terms energy: -703.049100
where:
bonds (distance) C4'-P energy: -119.232
bonds (distance) P-C4' energy: -122.566
flat angles C4'-P-C4' energy: -146.458
flat angles P-C4'-P energy: -95.415
tors. eta vs tors. theta energy: -219.377
Dist. restrs. and SS energy: 8.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2358.233789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.233789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.001235 (E_RNA)
where:
Base-Base interactions energy: -1691.509
where: short stacking energy: -704.360
Base-Backbone interact. energy: -2.940
local terms energy: -679.551803
where:
bonds (distance) C4'-P energy: -99.963
bonds (distance) P-C4' energy: -129.899
flat angles C4'-P-C4' energy: -144.084
flat angles P-C4'-P energy: -85.372
tors. eta vs tors. theta energy: -220.234
Dist. restrs. and SS energy: 15.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2243.839670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.839670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.036673 (E_RNA)
where:
Base-Base interactions energy: -1623.256
where: short stacking energy: -671.429
Base-Backbone interact. energy: -2.900
local terms energy: -634.880748
where:
bonds (distance) C4'-P energy: -112.160
bonds (distance) P-C4' energy: -90.797
flat angles C4'-P-C4' energy: -145.499
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -206.107
Dist. restrs. and SS energy: 17.197 (S_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: 96
Temperature: 1.250000
Total energy: -2137.036684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.036684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.076700 (E_RNA)
where:
Base-Base interactions energy: -1523.740
where: short stacking energy: -599.830
Base-Backbone interact. energy: -5.283
local terms energy: -623.053944
where:
bonds (distance) C4'-P energy: -97.729
bonds (distance) P-C4' energy: -120.126
flat angles C4'-P-C4' energy: -140.324
flat angles P-C4'-P energy: -81.339
tors. eta vs tors. theta energy: -183.536
Dist. restrs. and SS energy: 15.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -2031.642431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.642431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.022769 (E_RNA)
where:
Base-Base interactions energy: -1466.569
where: short stacking energy: -583.255
Base-Backbone interact. energy: 1.878
local terms energy: -580.331015
where:
bonds (distance) C4'-P energy: -105.743
bonds (distance) P-C4' energy: -88.642
flat angles C4'-P-C4' energy: -127.739
flat angles P-C4'-P energy: -82.285
tors. eta vs tors. theta energy: -175.921
Dist. restrs. and SS energy: 13.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1880.485790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.485790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.202465 (E_RNA)
where:
Base-Base interactions energy: -1335.242
where: short stacking energy: -532.373
Base-Backbone interact. energy: 6.117
local terms energy: -579.078258
where:
bonds (distance) C4'-P energy: -113.778
bonds (distance) P-C4' energy: -106.520
flat angles C4'-P-C4' energy: -137.687
flat angles P-C4'-P energy: -73.213
tors. eta vs tors. theta energy: -147.880
Dist. restrs. and SS energy: 27.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2742.832515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.832515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.292700 (E_RNA)
where:
Base-Base interactions energy: -1934.318
where: short stacking energy: -808.581
Base-Backbone interact. energy: -0.717
local terms energy: -810.257544
where:
bonds (distance) C4'-P energy: -146.531
bonds (distance) P-C4' energy: -135.284
flat angles C4'-P-C4' energy: -159.256
flat angles P-C4'-P energy: -116.107
tors. eta vs tors. theta energy: -253.079
Dist. restrs. and SS energy: 2.460 (S_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: 97
Temperature: 0.950000
Total energy: -2641.632625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.632625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.637227 (E_RNA)
where:
Base-Base interactions energy: -1879.142
where: short stacking energy: -770.671
Base-Backbone interact. energy: 0.195
local terms energy: -770.690166
where:
bonds (distance) C4'-P energy: -113.441
bonds (distance) P-C4' energy: -134.374
flat angles C4'-P-C4' energy: -166.103
flat angles P-C4'-P energy: -118.440
tors. eta vs tors. theta energy: -238.333
Dist. restrs. and SS energy: 8.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2604.047184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.047184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.575044 (E_RNA)
where:
Base-Base interactions energy: -1845.435
where: short stacking energy: -754.453
Base-Backbone interact. energy: -1.778
local terms energy: -769.362416
where:
bonds (distance) C4'-P energy: -134.553
bonds (distance) P-C4' energy: -115.824
flat angles C4'-P-C4' energy: -160.400
flat angles P-C4'-P energy: -118.205
tors. eta vs tors. theta energy: -240.380
Dist. restrs. and SS energy: 12.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2466.945603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.945603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.983378 (E_RNA)
where:
Base-Base interactions energy: -1765.104
where: short stacking energy: -740.988
Base-Backbone interact. energy: 0.484
local terms energy: -721.363278
where:
bonds (distance) C4'-P energy: -107.645
bonds (distance) P-C4' energy: -122.353
flat angles C4'-P-C4' energy: -161.414
flat angles P-C4'-P energy: -105.349
tors. eta vs tors. theta energy: -224.602
Dist. restrs. and SS energy: 19.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2409.852914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.852914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.586712 (E_RNA)
where:
Base-Base interactions energy: -1692.071
where: short stacking energy: -670.111
Base-Backbone interact. energy: 2.518
local terms energy: -731.033457
where:
bonds (distance) C4'-P energy: -126.484
bonds (distance) P-C4' energy: -140.415
flat angles C4'-P-C4' energy: -152.266
flat angles P-C4'-P energy: -100.560
tors. eta vs tors. theta energy: -211.308
Dist. restrs. and SS energy: 10.734 (S_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: 97
Temperature: 1.150000
Total energy: -2274.752521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.752521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.518329 (E_RNA)
where:
Base-Base interactions energy: -1589.721
where: short stacking energy: -643.203
Base-Backbone interact. energy: -0.826
local terms energy: -699.971401
where:
bonds (distance) C4'-P energy: -128.642
bonds (distance) P-C4' energy: -116.814
flat angles C4'-P-C4' energy: -153.827
flat angles P-C4'-P energy: -101.557
tors. eta vs tors. theta energy: -199.131
Dist. restrs. and SS energy: 15.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2271.557742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.557742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.060601 (E_RNA)
where:
Base-Base interactions energy: -1631.580
where: short stacking energy: -671.896
Base-Backbone interact. energy: -0.752
local terms energy: -656.728857
where:
bonds (distance) C4'-P energy: -102.266
bonds (distance) P-C4' energy: -110.859
flat angles C4'-P-C4' energy: -145.512
flat angles P-C4'-P energy: -95.332
tors. eta vs tors. theta energy: -202.760
Dist. restrs. and SS energy: 17.503 (S_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: 97
Temperature: 1.250000
Total energy: -2120.655774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.655774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.706230 (E_RNA)
where:
Base-Base interactions energy: -1523.833
where: short stacking energy: -596.151
Base-Backbone interact. energy: 2.833
local terms energy: -618.705557
where:
bonds (distance) C4'-P energy: -123.312
bonds (distance) P-C4' energy: -109.856
flat angles C4'-P-C4' energy: -134.995
flat angles P-C4'-P energy: -72.760
tors. eta vs tors. theta energy: -177.784
Dist. restrs. and SS energy: 19.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -2031.464865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.464865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.598600 (E_RNA)
where:
Base-Base interactions energy: -1448.211
where: short stacking energy: -556.992
Base-Backbone interact. energy: -0.941
local terms energy: -594.446567
where:
bonds (distance) C4'-P energy: -99.867
bonds (distance) P-C4' energy: -108.636
flat angles C4'-P-C4' energy: -119.786
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -186.694
Dist. restrs. and SS energy: 12.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1835.853747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.853747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.659126 (E_RNA)
where:
Base-Base interactions energy: -1288.891
where: short stacking energy: -529.005
Base-Backbone interact. energy: -1.773
local terms energy: -580.995675
where:
bonds (distance) C4'-P energy: -100.513
bonds (distance) P-C4' energy: -105.222
flat angles C4'-P-C4' energy: -135.595
flat angles P-C4'-P energy: -74.451
tors. eta vs tors. theta energy: -165.215
Dist. restrs. and SS energy: 35.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2726.170024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.170024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.125178 (E_RNA)
where:
Base-Base interactions energy: -1915.996
where: short stacking energy: -807.098
Base-Backbone interact. energy: -3.454
local terms energy: -810.675117
where:
bonds (distance) C4'-P energy: -139.064
bonds (distance) P-C4' energy: -145.909
flat angles C4'-P-C4' energy: -157.700
flat angles P-C4'-P energy: -116.119
tors. eta vs tors. theta energy: -251.884
Dist. restrs. and SS energy: 3.955 (S_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: 98
Temperature: 0.950000
Total energy: -2650.853013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.853013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.707068 (E_RNA)
where:
Base-Base interactions energy: -1887.027
where: short stacking energy: -773.869
Base-Backbone interact. energy: -0.925
local terms energy: -775.754210
where:
bonds (distance) C4'-P energy: -147.327
bonds (distance) P-C4' energy: -130.864
flat angles C4'-P-C4' energy: -148.470
flat angles P-C4'-P energy: -107.126
tors. eta vs tors. theta energy: -241.967
Dist. restrs. and SS energy: 12.854 (S_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: 98
Temperature: 1.000000
Total energy: -2593.117413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.117413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.297963 (E_RNA)
where:
Base-Base interactions energy: -1815.934
where: short stacking energy: -737.854
Base-Backbone interact. energy: -2.396
local terms energy: -787.968016
where:
bonds (distance) C4'-P energy: -122.812
bonds (distance) P-C4' energy: -141.273
flat angles C4'-P-C4' energy: -164.024
flat angles P-C4'-P energy: -119.060
tors. eta vs tors. theta energy: -240.799
Dist. restrs. and SS energy: 13.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2465.707419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.707419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.879061 (E_RNA)
where:
Base-Base interactions energy: -1734.467
where: short stacking energy: -714.983
Base-Backbone interact. energy: -1.956
local terms energy: -742.456912
where:
bonds (distance) C4'-P energy: -139.287
bonds (distance) P-C4' energy: -139.610
flat angles C4'-P-C4' energy: -150.390
flat angles P-C4'-P energy: -103.403
tors. eta vs tors. theta energy: -209.768
Dist. restrs. and SS energy: 13.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2424.922833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.922833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.410229 (E_RNA)
where:
Base-Base interactions energy: -1725.145
where: short stacking energy: -701.697
Base-Backbone interact. energy: -0.906
local terms energy: -712.359441
where:
bonds (distance) C4'-P energy: -127.648
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -146.637
flat angles P-C4'-P energy: -105.674
tors. eta vs tors. theta energy: -220.406
Dist. restrs. and SS energy: 13.487 (S_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: 98
Temperature: 1.150000
Total energy: -2346.853401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.853401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.398239 (E_RNA)
where:
Base-Base interactions energy: -1669.932
where: short stacking energy: -696.099
Base-Backbone interact. energy: -2.793
local terms energy: -691.674129
where:
bonds (distance) C4'-P energy: -116.494
bonds (distance) P-C4' energy: -111.466
flat angles C4'-P-C4' energy: -155.934
flat angles P-C4'-P energy: -98.959
tors. eta vs tors. theta energy: -208.821
Dist. restrs. and SS energy: 17.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2266.638627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.638627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.881449 (E_RNA)
where:
Base-Base interactions energy: -1577.102
where: short stacking energy: -645.323
Base-Backbone interact. energy: 5.032
local terms energy: -711.810717
where:
bonds (distance) C4'-P energy: -123.526
bonds (distance) P-C4' energy: -117.153
flat angles C4'-P-C4' energy: -155.674
flat angles P-C4'-P energy: -105.491
tors. eta vs tors. theta energy: -209.967
Dist. restrs. and SS energy: 17.243 (S_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: 98
Temperature: 1.250000
Total energy: -2141.799831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.799831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.680161 (E_RNA)
where:
Base-Base interactions energy: -1518.765
where: short stacking energy: -620.891
Base-Backbone interact. energy: -2.064
local terms energy: -635.850561
where:
bonds (distance) C4'-P energy: -129.338
bonds (distance) P-C4' energy: -133.244
flat angles C4'-P-C4' energy: -116.036
flat angles P-C4'-P energy: -67.176
tors. eta vs tors. theta energy: -190.056
Dist. restrs. and SS energy: 14.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -2026.954776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.954776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.090229 (E_RNA)
where:
Base-Base interactions energy: -1430.280
where: short stacking energy: -575.717
Base-Backbone interact. energy: -2.845
local terms energy: -613.964836
where:
bonds (distance) C4'-P energy: -106.794
bonds (distance) P-C4' energy: -126.356
flat angles C4'-P-C4' energy: -133.367
flat angles P-C4'-P energy: -71.379
tors. eta vs tors. theta energy: -176.069
Dist. restrs. and SS energy: 20.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1900.535407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.535407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.794089 (E_RNA)
where:
Base-Base interactions energy: -1362.296
where: short stacking energy: -540.697
Base-Backbone interact. energy: 7.558
local terms energy: -579.056060
where:
bonds (distance) C4'-P energy: -94.701
bonds (distance) P-C4' energy: -124.434
flat angles C4'-P-C4' energy: -120.883
flat angles P-C4'-P energy: -89.616
tors. eta vs tors. theta energy: -149.422
Dist. restrs. and SS energy: 33.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2721.455872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.455872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.098840 (E_RNA)
where:
Base-Base interactions energy: -1934.643
where: short stacking energy: -788.425
Base-Backbone interact. energy: -3.070
local terms energy: -785.386470
where:
bonds (distance) C4'-P energy: -144.205
bonds (distance) P-C4' energy: -136.231
flat angles C4'-P-C4' energy: -145.637
flat angles P-C4'-P energy: -115.101
tors. eta vs tors. theta energy: -244.213
Dist. restrs. and SS energy: 1.643 (S_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: 99
Temperature: 0.950000
Total energy: -2656.824559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.824559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.715372 (E_RNA)
where:
Base-Base interactions energy: -1891.955
where: short stacking energy: -769.937
Base-Backbone interact. energy: -2.332
local terms energy: -779.428815
where:
bonds (distance) C4'-P energy: -121.333
bonds (distance) P-C4' energy: -154.386
flat angles C4'-P-C4' energy: -159.149
flat angles P-C4'-P energy: -113.338
tors. eta vs tors. theta energy: -231.223
Dist. restrs. and SS energy: 16.891 (S_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: 99
Temperature: 1.000000
Total energy: -2597.237298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.237298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.607646 (E_RNA)
where:
Base-Base interactions energy: -1831.348
where: short stacking energy: -773.337
Base-Backbone interact. energy: -0.188
local terms energy: -779.072146
where:
bonds (distance) C4'-P energy: -123.009
bonds (distance) P-C4' energy: -149.282
flat angles C4'-P-C4' energy: -148.210
flat angles P-C4'-P energy: -114.311
tors. eta vs tors. theta energy: -244.260
Dist. restrs. and SS energy: 13.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2460.018801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.018801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.391304 (E_RNA)
where:
Base-Base interactions energy: -1738.288
where: short stacking energy: -698.514
Base-Backbone interact. energy: -2.786
local terms energy: -737.317686
where:
bonds (distance) C4'-P energy: -119.223
bonds (distance) P-C4' energy: -140.158
flat angles C4'-P-C4' energy: -156.619
flat angles P-C4'-P energy: -111.577
tors. eta vs tors. theta energy: -209.741
Dist. restrs. and SS energy: 18.373 (S_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: 99
Temperature: 1.100000
Total energy: -2404.206715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.206715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.454816 (E_RNA)
where:
Base-Base interactions energy: -1677.118
where: short stacking energy: -692.668
Base-Backbone interact. energy: -2.869
local terms energy: -735.467458
where:
bonds (distance) C4'-P energy: -136.370
bonds (distance) P-C4' energy: -135.105
flat angles C4'-P-C4' energy: -155.369
flat angles P-C4'-P energy: -93.770
tors. eta vs tors. theta energy: -214.853
Dist. restrs. and SS energy: 11.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2330.134319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.134319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.188311 (E_RNA)
where:
Base-Base interactions energy: -1679.863
where: short stacking energy: -675.220
Base-Backbone interact. energy: -1.582
local terms energy: -665.743733
where:
bonds (distance) C4'-P energy: -110.051
bonds (distance) P-C4' energy: -123.602
flat angles C4'-P-C4' energy: -153.339
flat angles P-C4'-P energy: -81.399
tors. eta vs tors. theta energy: -197.353
Dist. restrs. and SS energy: 17.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2255.971713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.971713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.988111 (E_RNA)
where:
Base-Base interactions energy: -1592.476
where: short stacking energy: -653.031
Base-Backbone interact. energy: 1.933
local terms energy: -684.445915
where:
bonds (distance) C4'-P energy: -91.568
bonds (distance) P-C4' energy: -125.804
flat angles C4'-P-C4' energy: -148.740
flat angles P-C4'-P energy: -105.133
tors. eta vs tors. theta energy: -213.201
Dist. restrs. and SS energy: 19.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2102.027028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.027028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.811507 (E_RNA)
where:
Base-Base interactions energy: -1534.889
where: short stacking energy: -583.651
Base-Backbone interact. energy: 4.046
local terms energy: -582.969252
where:
bonds (distance) C4'-P energy: -89.310
bonds (distance) P-C4' energy: -121.669
flat angles C4'-P-C4' energy: -118.783
flat angles P-C4'-P energy: -80.056
tors. eta vs tors. theta energy: -173.151
Dist. restrs. and SS energy: 11.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -2010.309453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.309453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.026136 (E_RNA)
where:
Base-Base interactions energy: -1435.741
where: short stacking energy: -562.051
Base-Backbone interact. energy: -1.645
local terms energy: -591.640173
where:
bonds (distance) C4'-P energy: -97.007
bonds (distance) P-C4' energy: -122.903
flat angles C4'-P-C4' energy: -124.000
flat angles P-C4'-P energy: -78.539
tors. eta vs tors. theta energy: -169.190
Dist. restrs. and SS energy: 18.717 (S_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: 99
Temperature: 1.350000
Total energy: -1849.648882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.648882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.143149 (E_RNA)
where:
Base-Base interactions energy: -1321.920
where: short stacking energy: -531.017
Base-Backbone interact. energy: -1.560
local terms energy: -560.662805
where:
bonds (distance) C4'-P energy: -91.564
bonds (distance) P-C4' energy: -124.292
flat angles C4'-P-C4' energy: -120.957
flat angles P-C4'-P energy: -55.132
tors. eta vs tors. theta energy: -168.718
Dist. restrs. and SS energy: 34.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2754.140526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.140526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.340220 (E_RNA)
where:
Base-Base interactions energy: -1930.268
where: short stacking energy: -784.984
Base-Backbone interact. energy: -3.465
local terms energy: -822.606739
where:
bonds (distance) C4'-P energy: -149.380
bonds (distance) P-C4' energy: -145.094
flat angles C4'-P-C4' energy: -168.689
flat angles P-C4'-P energy: -117.079
tors. eta vs tors. theta energy: -242.364
Dist. restrs. and SS energy: 2.200 (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: 100
Temperature: 0.950000
Total energy: -2637.336451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.336451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.294575 (E_RNA)
where:
Base-Base interactions energy: -1877.307
where: short stacking energy: -772.458
Base-Backbone interact. energy: 0.196
local terms energy: -770.183308
where:
bonds (distance) C4'-P energy: -136.832
bonds (distance) P-C4' energy: -135.534
flat angles C4'-P-C4' energy: -160.276
flat angles P-C4'-P energy: -103.404
tors. eta vs tors. theta energy: -234.137
Dist. restrs. and SS energy: 9.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2581.430176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.430176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.154474 (E_RNA)
where:
Base-Base interactions energy: -1810.215
where: short stacking energy: -761.975
Base-Backbone interact. energy: -2.338
local terms energy: -780.601049
where:
bonds (distance) C4'-P energy: -128.298
bonds (distance) P-C4' energy: -148.556
flat angles C4'-P-C4' energy: -150.125
flat angles P-C4'-P energy: -113.248
tors. eta vs tors. theta energy: -240.374
Dist. restrs. and SS energy: 11.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2482.506679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.506679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.398592 (E_RNA)
where:
Base-Base interactions energy: -1758.840
where: short stacking energy: -711.719
Base-Backbone interact. energy: -2.175
local terms energy: -735.383955
where:
bonds (distance) C4'-P energy: -137.135
bonds (distance) P-C4' energy: -135.927
flat angles C4'-P-C4' energy: -148.974
flat angles P-C4'-P energy: -97.021
tors. eta vs tors. theta energy: -216.326
Dist. restrs. and SS energy: 13.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2374.859977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.859977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.197667 (E_RNA)
where:
Base-Base interactions energy: -1679.021
where: short stacking energy: -710.106
Base-Backbone interact. energy: -2.499
local terms energy: -704.677194
where:
bonds (distance) C4'-P energy: -120.961
bonds (distance) P-C4' energy: -117.888
flat angles C4'-P-C4' energy: -159.346
flat angles P-C4'-P energy: -88.436
tors. eta vs tors. theta energy: -218.046
Dist. restrs. and SS energy: 11.338 (S_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: 100
Temperature: 1.150000
Total energy: -2353.340976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.340976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.910539 (E_RNA)
where:
Base-Base interactions energy: -1666.307
where: short stacking energy: -699.335
Base-Backbone interact. energy: 1.646
local terms energy: -708.249652
where:
bonds (distance) C4'-P energy: -121.376
bonds (distance) P-C4' energy: -115.457
flat angles C4'-P-C4' energy: -149.153
flat angles P-C4'-P energy: -98.432
tors. eta vs tors. theta energy: -223.831
Dist. restrs. and SS energy: 19.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2252.158862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.158862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.104750 (E_RNA)
where:
Base-Base interactions energy: -1602.410
where: short stacking energy: -660.053
Base-Backbone interact. energy: -3.402
local terms energy: -663.292869
where:
bonds (distance) C4'-P energy: -96.445
bonds (distance) P-C4' energy: -111.177
flat angles C4'-P-C4' energy: -153.364
flat angles P-C4'-P energy: -95.420
tors. eta vs tors. theta energy: -206.887
Dist. restrs. and SS energy: 16.946 (S_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: 100
Temperature: 1.250000
Total energy: -2151.995918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.995918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.965538 (E_RNA)
where:
Base-Base interactions energy: -1522.678
where: short stacking energy: -622.161
Base-Backbone interact. energy: 4.953
local terms energy: -648.241259
where:
bonds (distance) C4'-P energy: -102.458
bonds (distance) P-C4' energy: -120.350
flat angles C4'-P-C4' energy: -149.679
flat angles P-C4'-P energy: -84.334
tors. eta vs tors. theta energy: -191.421
Dist. restrs. and SS energy: 13.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -2020.593802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.593802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.562309 (E_RNA)
where:
Base-Base interactions energy: -1446.985
where: short stacking energy: -583.224
Base-Backbone interact. energy: -2.599
local terms energy: -588.978475
where:
bonds (distance) C4'-P energy: -109.443
bonds (distance) P-C4' energy: -112.631
flat angles C4'-P-C4' energy: -127.535
flat angles P-C4'-P energy: -67.302
tors. eta vs tors. theta energy: -172.068
Dist. restrs. and SS energy: 17.969 (S_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: 100
Temperature: 1.350000
Total energy: -1850.538594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.538594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.859246 (E_RNA)
where:
Base-Base interactions energy: -1340.673
where: short stacking energy: -535.392
Base-Backbone interact. energy: -0.655
local terms energy: -537.531897
where:
bonds (distance) C4'-P energy: -102.334
bonds (distance) P-C4' energy: -100.426
flat angles C4'-P-C4' energy: -110.353
flat angles P-C4'-P energy: -79.473
tors. eta vs tors. theta energy: -144.947
Dist. restrs. and SS energy: 28.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2719.153457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.153457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.322616 (E_RNA)
where:
Base-Base interactions energy: -1922.740
where: short stacking energy: -780.519
Base-Backbone interact. energy: -0.248
local terms energy: -799.334382
where:
bonds (distance) C4'-P energy: -134.798
bonds (distance) P-C4' energy: -141.209
flat angles C4'-P-C4' energy: -168.752
flat angles P-C4'-P energy: -113.794
tors. eta vs tors. theta energy: -240.782
Dist. restrs. and SS energy: 3.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2668.822819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.822819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.989885 (E_RNA)
where:
Base-Base interactions energy: -1894.196
where: short stacking energy: -777.971
Base-Backbone interact. energy: -1.687
local terms energy: -786.106753
where:
bonds (distance) C4'-P energy: -121.510
bonds (distance) P-C4' energy: -138.320
flat angles C4'-P-C4' energy: -167.214
flat angles P-C4'-P energy: -120.399
tors. eta vs tors. theta energy: -238.665
Dist. restrs. and SS energy: 13.167 (S_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: 101
Temperature: 1.000000
Total energy: -2593.999119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.999119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.669537 (E_RNA)
where:
Base-Base interactions energy: -1816.322
where: short stacking energy: -737.250
Base-Backbone interact. energy: -2.783
local terms energy: -787.564484
where:
bonds (distance) C4'-P energy: -141.676
bonds (distance) P-C4' energy: -125.097
flat angles C4'-P-C4' energy: -164.504
flat angles P-C4'-P energy: -116.270
tors. eta vs tors. theta energy: -240.017
Dist. restrs. and SS energy: 12.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2479.610523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.610523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.255622 (E_RNA)
where:
Base-Base interactions energy: -1770.416
where: short stacking energy: -747.681
Base-Backbone interact. energy: 4.324
local terms energy: -724.163648
where:
bonds (distance) C4'-P energy: -132.458
bonds (distance) P-C4' energy: -112.574
flat angles C4'-P-C4' energy: -163.772
flat angles P-C4'-P energy: -94.828
tors. eta vs tors. theta energy: -220.532
Dist. restrs. and SS energy: 10.645 (S_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: 101
Temperature: 1.100000
Total energy: -2426.355729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.355729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.851410 (E_RNA)
where:
Base-Base interactions energy: -1728.118
where: short stacking energy: -726.355
Base-Backbone interact. energy: 1.308
local terms energy: -720.041325
where:
bonds (distance) C4'-P energy: -124.370
bonds (distance) P-C4' energy: -128.613
flat angles C4'-P-C4' energy: -158.536
flat angles P-C4'-P energy: -99.800
tors. eta vs tors. theta energy: -208.722
Dist. restrs. and SS energy: 20.496 (S_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: 101
Temperature: 1.150000
Total energy: -2369.682925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.682925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.064433 (E_RNA)
where:
Base-Base interactions energy: -1711.124
where: short stacking energy: -708.982
Base-Backbone interact. energy: 1.523
local terms energy: -681.463204
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -137.176
flat angles P-C4'-P energy: -81.331
tors. eta vs tors. theta energy: -225.724
Dist. restrs. and SS energy: 21.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -2319.326892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.326892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.005149 (E_RNA)
where:
Base-Base interactions energy: -1655.260
where: short stacking energy: -673.046
Base-Backbone interact. energy: -2.350
local terms energy: -676.395400
where:
bonds (distance) C4'-P energy: -115.839
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -140.869
flat angles P-C4'-P energy: -99.792
tors. eta vs tors. theta energy: -205.307
Dist. restrs. and SS energy: 14.678 (S_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: 101
Temperature: 1.250000
Total energy: -2211.360018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.360018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.601857 (E_RNA)
where:
Base-Base interactions energy: -1585.881
where: short stacking energy: -645.616
Base-Backbone interact. energy: -2.899
local terms energy: -646.821988
where:
bonds (distance) C4'-P energy: -90.823
bonds (distance) P-C4' energy: -114.981
flat angles C4'-P-C4' energy: -148.666
flat angles P-C4'-P energy: -91.349
tors. eta vs tors. theta energy: -201.003
Dist. restrs. and SS energy: 24.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -2035.258669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.258669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.634909 (E_RNA)
where:
Base-Base interactions energy: -1452.795
where: short stacking energy: -596.465
Base-Backbone interact. energy: 5.195
local terms energy: -612.034373
where:
bonds (distance) C4'-P energy: -86.838
bonds (distance) P-C4' energy: -119.470
flat angles C4'-P-C4' energy: -132.883
flat angles P-C4'-P energy: -93.183
tors. eta vs tors. theta energy: -179.660
Dist. restrs. and SS energy: 24.376 (S_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: 101
Temperature: 1.350000
Total energy: -1934.419984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.419984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.610505 (E_RNA)
where:
Base-Base interactions energy: -1369.257
where: short stacking energy: -538.958
Base-Backbone interact. energy: -2.531
local terms energy: -586.823253
where:
bonds (distance) C4'-P energy: -101.703
bonds (distance) P-C4' energy: -113.058
flat angles C4'-P-C4' energy: -140.707
flat angles P-C4'-P energy: -76.765
tors. eta vs tors. theta energy: -154.591
Dist. restrs. and SS energy: 24.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2734.687009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.687009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.186392 (E_RNA)
where:
Base-Base interactions energy: -1914.326
where: short stacking energy: -778.886
Base-Backbone interact. energy: -5.466
local terms energy: -818.394361
where:
bonds (distance) C4'-P energy: -151.821
bonds (distance) P-C4' energy: -132.148
flat angles C4'-P-C4' energy: -172.881
flat angles P-C4'-P energy: -112.174
tors. eta vs tors. theta energy: -249.371
Dist. restrs. and SS energy: 3.499 (S_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: 102
Temperature: 0.950000
Total energy: -2644.722958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.722958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.392855 (E_RNA)
where:
Base-Base interactions energy: -1874.114
where: short stacking energy: -784.772
Base-Backbone interact. energy: -1.603
local terms energy: -782.676159
where:
bonds (distance) C4'-P energy: -131.639
bonds (distance) P-C4' energy: -136.879
flat angles C4'-P-C4' energy: -161.417
flat angles P-C4'-P energy: -114.730
tors. eta vs tors. theta energy: -238.011
Dist. restrs. and SS energy: 13.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2566.479937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.479937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.395690 (E_RNA)
where:
Base-Base interactions energy: -1818.928
where: short stacking energy: -755.069
Base-Backbone interact. energy: -1.257
local terms energy: -753.210969
where:
bonds (distance) C4'-P energy: -115.289
bonds (distance) P-C4' energy: -143.360
flat angles C4'-P-C4' energy: -151.429
flat angles P-C4'-P energy: -109.114
tors. eta vs tors. theta energy: -234.019
Dist. restrs. and SS energy: 6.916 (S_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: 102
Temperature: 1.050000
Total energy: -2537.981990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.981990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.014404 (E_RNA)
where:
Base-Base interactions energy: -1800.256
where: short stacking energy: -720.067
Base-Backbone interact. energy: -2.301
local terms energy: -748.457610
where:
bonds (distance) C4'-P energy: -128.913
bonds (distance) P-C4' energy: -135.520
flat angles C4'-P-C4' energy: -146.739
flat angles P-C4'-P energy: -101.443
tors. eta vs tors. theta energy: -235.842
Dist. restrs. and SS energy: 13.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2483.885389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.885389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.631996 (E_RNA)
where:
Base-Base interactions energy: -1764.003
where: short stacking energy: -712.223
Base-Backbone interact. energy: -2.366
local terms energy: -735.263124
where:
bonds (distance) C4'-P energy: -136.020
bonds (distance) P-C4' energy: -137.260
flat angles C4'-P-C4' energy: -151.054
flat angles P-C4'-P energy: -96.199
tors. eta vs tors. theta energy: -214.731
Dist. restrs. and SS energy: 17.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2347.731120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.731120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.131479 (E_RNA)
where:
Base-Base interactions energy: -1657.980
where: short stacking energy: -681.443
Base-Backbone interact. energy: -1.802
local terms energy: -701.349211
where:
bonds (distance) C4'-P energy: -130.317
bonds (distance) P-C4' energy: -121.042
flat angles C4'-P-C4' energy: -137.776
flat angles P-C4'-P energy: -95.353
tors. eta vs tors. theta energy: -216.861
Dist. restrs. and SS energy: 13.400 (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: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2295.772916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.772916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.951577 (E_RNA)
where:
Base-Base interactions energy: -1635.435
where: short stacking energy: -637.412
Base-Backbone interact. energy: -1.026
local terms energy: -672.490531
where:
bonds (distance) C4'-P energy: -113.675
bonds (distance) P-C4' energy: -127.042
flat angles C4'-P-C4' energy: -144.940
flat angles P-C4'-P energy: -81.289
tors. eta vs tors. theta energy: -205.544
Dist. restrs. and SS energy: 13.179 (S_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: 102
Temperature: 1.250000
Total energy: -2161.642825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.642825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.141247 (E_RNA)
where:
Base-Base interactions energy: -1537.226
where: short stacking energy: -625.698
Base-Backbone interact. energy: -1.893
local terms energy: -644.022355
where:
bonds (distance) C4'-P energy: -118.112
bonds (distance) P-C4' energy: -120.370
flat angles C4'-P-C4' energy: -145.627
flat angles P-C4'-P energy: -67.320
tors. eta vs tors. theta energy: -192.593
Dist. restrs. and SS energy: 21.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -2040.656674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.656674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.070784 (E_RNA)
where:
Base-Base interactions energy: -1453.935
where: short stacking energy: -595.230
Base-Backbone interact. energy: -3.700
local terms energy: -611.435826
where:
bonds (distance) C4'-P energy: -87.998
bonds (distance) P-C4' energy: -115.539
flat angles C4'-P-C4' energy: -132.975
flat angles P-C4'-P energy: -93.000
tors. eta vs tors. theta energy: -181.924
Dist. restrs. and SS energy: 28.414 (S_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: 102
Temperature: 1.350000
Total energy: -1913.792390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.792390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.311821 (E_RNA)
where:
Base-Base interactions energy: -1365.266
where: short stacking energy: -537.277
Base-Backbone interact. energy: -0.860
local terms energy: -566.185496
where:
bonds (distance) C4'-P energy: -94.482
bonds (distance) P-C4' energy: -117.951
flat angles C4'-P-C4' energy: -127.643
flat angles P-C4'-P energy: -67.050
tors. eta vs tors. theta energy: -159.060
Dist. restrs. and SS energy: 18.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2727.588257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.588257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.838068 (E_RNA)
where:
Base-Base interactions energy: -1927.978
where: short stacking energy: -792.076
Base-Backbone interact. energy: -1.580
local terms energy: -803.280521
where:
bonds (distance) C4'-P energy: -149.471
bonds (distance) P-C4' energy: -127.818
flat angles C4'-P-C4' energy: -153.393
flat angles P-C4'-P energy: -118.285
tors. eta vs tors. theta energy: -254.314
Dist. restrs. and SS energy: 5.250 (S_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: 103
Temperature: 0.950000
Total energy: -2649.590076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.590076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.341545 (E_RNA)
where:
Base-Base interactions energy: -1883.946
where: short stacking energy: -796.286
Base-Backbone interact. energy: -1.204
local terms energy: -775.191615
where:
bonds (distance) C4'-P energy: -130.756
bonds (distance) P-C4' energy: -124.695
flat angles C4'-P-C4' energy: -151.924
flat angles P-C4'-P energy: -117.190
tors. eta vs tors. theta energy: -250.626
Dist. restrs. and SS energy: 10.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2564.154317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.154317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.559229 (E_RNA)
where:
Base-Base interactions energy: -1833.601
where: short stacking energy: -764.005
Base-Backbone interact. energy: -1.244
local terms energy: -736.714989
where:
bonds (distance) C4'-P energy: -124.400
bonds (distance) P-C4' energy: -120.946
flat angles C4'-P-C4' energy: -153.091
flat angles P-C4'-P energy: -104.727
tors. eta vs tors. theta energy: -233.552
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2540.027345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.027345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.848657 (E_RNA)
where:
Base-Base interactions energy: -1793.417
where: short stacking energy: -708.158
Base-Backbone interact. energy: -0.717
local terms energy: -755.714639
where:
bonds (distance) C4'-P energy: -135.481
bonds (distance) P-C4' energy: -138.142
flat angles C4'-P-C4' energy: -148.219
flat angles P-C4'-P energy: -110.782
tors. eta vs tors. theta energy: -223.091
Dist. restrs. and SS energy: 9.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2428.179119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.179119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.370307 (E_RNA)
where:
Base-Base interactions energy: -1714.619
where: short stacking energy: -700.344
Base-Backbone interact. energy: -3.567
local terms energy: -726.184064
where:
bonds (distance) C4'-P energy: -119.629
bonds (distance) P-C4' energy: -146.382
flat angles C4'-P-C4' energy: -147.965
flat angles P-C4'-P energy: -96.530
tors. eta vs tors. theta energy: -215.678
Dist. restrs. and SS energy: 16.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2381.538213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.538213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.319849 (E_RNA)
where:
Base-Base interactions energy: -1692.343
where: short stacking energy: -684.413
Base-Backbone interact. energy: -3.493
local terms energy: -698.484119
where:
bonds (distance) C4'-P energy: -113.994
bonds (distance) P-C4' energy: -120.377
flat angles C4'-P-C4' energy: -149.053
flat angles P-C4'-P energy: -107.510
tors. eta vs tors. theta energy: -207.550
Dist. restrs. and SS energy: 12.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2302.657485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.657485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.020092 (E_RNA)
where:
Base-Base interactions energy: -1628.300
where: short stacking energy: -649.997
Base-Backbone interact. energy: -1.146
local terms energy: -686.574188
where:
bonds (distance) C4'-P energy: -113.292
bonds (distance) P-C4' energy: -120.444
flat angles C4'-P-C4' energy: -148.364
flat angles P-C4'-P energy: -100.729
tors. eta vs tors. theta energy: -203.746
Dist. restrs. and SS energy: 13.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2115.214652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.214652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.302107 (E_RNA)
where:
Base-Base interactions energy: -1494.874
where: short stacking energy: -579.881
Base-Backbone interact. energy: -0.250
local terms energy: -639.178776
where:
bonds (distance) C4'-P energy: -115.742
bonds (distance) P-C4' energy: -115.257
flat angles C4'-P-C4' energy: -128.268
flat angles P-C4'-P energy: -100.142
tors. eta vs tors. theta energy: -179.769
Dist. restrs. and SS energy: 19.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -2075.415435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.415435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.198254 (E_RNA)
where:
Base-Base interactions energy: -1451.401
where: short stacking energy: -585.364
Base-Backbone interact. energy: 0.481
local terms energy: -647.278464
where:
bonds (distance) C4'-P energy: -112.606
bonds (distance) P-C4' energy: -105.977
flat angles C4'-P-C4' energy: -136.462
flat angles P-C4'-P energy: -98.027
tors. eta vs tors. theta energy: -194.207
Dist. restrs. and SS energy: 22.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1949.683983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.683983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.226561 (E_RNA)
where:
Base-Base interactions energy: -1409.856
where: short stacking energy: -565.582
Base-Backbone interact. energy: 1.453
local terms energy: -565.823523
where:
bonds (distance) C4'-P energy: -101.430
bonds (distance) P-C4' energy: -107.242
flat angles C4'-P-C4' energy: -115.279
flat angles P-C4'-P energy: -75.332
tors. eta vs tors. theta energy: -166.539
Dist. restrs. and SS energy: 24.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2735.719534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.719534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.033197 (E_RNA)
where:
Base-Base interactions energy: -1931.845
where: short stacking energy: -797.448
Base-Backbone interact. energy: -1.001
local terms energy: -808.186886
where:
bonds (distance) C4'-P energy: -152.338
bonds (distance) P-C4' energy: -138.247
flat angles C4'-P-C4' energy: -169.485
flat angles P-C4'-P energy: -100.802
tors. eta vs tors. theta energy: -247.313
Dist. restrs. and SS energy: 5.314 (S_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: 104
Temperature: 0.950000
Total energy: -2674.571162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.571162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.067962 (E_RNA)
where:
Base-Base interactions energy: -1889.246
where: short stacking energy: -777.969
Base-Backbone interact. energy: -3.830
local terms energy: -790.991521
where:
bonds (distance) C4'-P energy: -141.353
bonds (distance) P-C4' energy: -137.051
flat angles C4'-P-C4' energy: -158.187
flat angles P-C4'-P energy: -116.403
tors. eta vs tors. theta energy: -237.998
Dist. restrs. and SS energy: 9.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2579.030777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.030777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.438646 (E_RNA)
where:
Base-Base interactions energy: -1814.932
where: short stacking energy: -741.291
Base-Backbone interact. energy: -2.490
local terms energy: -766.017028
where:
bonds (distance) C4'-P energy: -147.822
bonds (distance) P-C4' energy: -125.746
flat angles C4'-P-C4' energy: -152.998
flat angles P-C4'-P energy: -109.755
tors. eta vs tors. theta energy: -229.696
Dist. restrs. and SS energy: 4.408 (S_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: 104
Temperature: 1.050000
Total energy: -2548.699725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.699725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.338121 (E_RNA)
where:
Base-Base interactions energy: -1826.433
where: short stacking energy: -734.499
Base-Backbone interact. energy: -2.730
local terms energy: -728.174712
where:
bonds (distance) C4'-P energy: -117.640
bonds (distance) P-C4' energy: -141.582
flat angles C4'-P-C4' energy: -148.776
flat angles P-C4'-P energy: -96.708
tors. eta vs tors. theta energy: -223.468
Dist. restrs. and SS energy: 8.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2412.501813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.501813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.594461 (E_RNA)
where:
Base-Base interactions energy: -1716.621
where: short stacking energy: -697.369
Base-Backbone interact. energy: -0.174
local terms energy: -707.799662
where:
bonds (distance) C4'-P energy: -117.335
bonds (distance) P-C4' energy: -121.118
flat angles C4'-P-C4' energy: -152.351
flat angles P-C4'-P energy: -97.242
tors. eta vs tors. theta energy: -219.754
Dist. restrs. and SS energy: 12.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2327.054370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.054370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.783779 (E_RNA)
where:
Base-Base interactions energy: -1666.440
where: short stacking energy: -664.564
Base-Backbone interact. energy: 1.492
local terms energy: -671.835668
where:
bonds (distance) C4'-P energy: -124.633
bonds (distance) P-C4' energy: -118.734
flat angles C4'-P-C4' energy: -140.151
flat angles P-C4'-P energy: -91.423
tors. eta vs tors. theta energy: -196.895
Dist. restrs. and SS energy: 9.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2253.562500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.562500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.941219 (E_RNA)
where:
Base-Base interactions energy: -1598.737
where: short stacking energy: -642.550
Base-Backbone interact. energy: -0.262
local terms energy: -677.941860
where:
bonds (distance) C4'-P energy: -125.036
bonds (distance) P-C4' energy: -115.513
flat angles C4'-P-C4' energy: -147.242
flat angles P-C4'-P energy: -94.759
tors. eta vs tors. theta energy: -195.392
Dist. restrs. and SS energy: 23.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -2107.154254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.154254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.338927 (E_RNA)
where:
Base-Base interactions energy: -1485.785
where: short stacking energy: -575.990
Base-Backbone interact. energy: -3.049
local terms energy: -635.504135
where:
bonds (distance) C4'-P energy: -118.521
bonds (distance) P-C4' energy: -117.965
flat angles C4'-P-C4' energy: -127.877
flat angles P-C4'-P energy: -95.231
tors. eta vs tors. theta energy: -175.910
Dist. restrs. and SS energy: 17.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -2019.914080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.914080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.318099 (E_RNA)
where:
Base-Base interactions energy: -1443.435
where: short stacking energy: -596.268
Base-Backbone interact. energy: -1.294
local terms energy: -602.588934
where:
bonds (distance) C4'-P energy: -108.584
bonds (distance) P-C4' energy: -120.363
flat angles C4'-P-C4' energy: -126.336
flat angles P-C4'-P energy: -76.487
tors. eta vs tors. theta energy: -170.819
Dist. restrs. and SS energy: 27.404 (S_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: 104
Temperature: 1.350000
Total energy: -1938.495330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.495330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.673566 (E_RNA)
where:
Base-Base interactions energy: -1384.192
where: short stacking energy: -548.584
Base-Backbone interact. energy: -3.855
local terms energy: -572.626702
where:
bonds (distance) C4'-P energy: -106.746
bonds (distance) P-C4' energy: -103.804
flat angles C4'-P-C4' energy: -127.872
flat angles P-C4'-P energy: -75.095
tors. eta vs tors. theta energy: -159.110
Dist. restrs. and SS energy: 22.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2751.009793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.009793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.585890 (E_RNA)
where:
Base-Base interactions energy: -1937.395
where: short stacking energy: -798.763
Base-Backbone interact. energy: -1.517
local terms energy: -816.673316
where:
bonds (distance) C4'-P energy: -142.155
bonds (distance) P-C4' energy: -142.360
flat angles C4'-P-C4' energy: -166.492
flat angles P-C4'-P energy: -118.205
tors. eta vs tors. theta energy: -247.463
Dist. restrs. and SS energy: 4.576 (S_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: 105
Temperature: 0.950000
Total energy: -2673.368521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.368521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.284096 (E_RNA)
where:
Base-Base interactions energy: -1904.084
where: short stacking energy: -769.417
Base-Backbone interact. energy: -1.223
local terms energy: -776.977141
where:
bonds (distance) C4'-P energy: -121.632
bonds (distance) P-C4' energy: -138.609
flat angles C4'-P-C4' energy: -160.985
flat angles P-C4'-P energy: -120.715
tors. eta vs tors. theta energy: -235.036
Dist. restrs. and SS energy: 8.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2604.020193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.020193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.526978 (E_RNA)
where:
Base-Base interactions energy: -1837.001
where: short stacking energy: -750.075
Base-Backbone interact. energy: -2.535
local terms energy: -767.991114
where:
bonds (distance) C4'-P energy: -137.581
bonds (distance) P-C4' energy: -117.062
flat angles C4'-P-C4' energy: -170.268
flat angles P-C4'-P energy: -108.659
tors. eta vs tors. theta energy: -234.422
Dist. restrs. and SS energy: 3.507 (S_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: 105
Temperature: 1.050000
Total energy: -2535.780660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.780660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.713397 (E_RNA)
where:
Base-Base interactions energy: -1793.450
where: short stacking energy: -744.683
Base-Backbone interact. energy: 1.061
local terms energy: -752.324082
where:
bonds (distance) C4'-P energy: -129.044
bonds (distance) P-C4' energy: -143.090
flat angles C4'-P-C4' energy: -145.880
flat angles P-C4'-P energy: -109.247
tors. eta vs tors. theta energy: -225.063
Dist. restrs. and SS energy: 8.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2472.560189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.560189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.743861 (E_RNA)
where:
Base-Base interactions energy: -1772.396
where: short stacking energy: -747.389
Base-Backbone interact. energy: -4.868
local terms energy: -709.480017
where:
bonds (distance) C4'-P energy: -128.248
bonds (distance) P-C4' energy: -131.526
flat angles C4'-P-C4' energy: -139.774
flat angles P-C4'-P energy: -84.169
tors. eta vs tors. theta energy: -225.763
Dist. restrs. and SS energy: 14.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2345.513755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.513755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.547985 (E_RNA)
where:
Base-Base interactions energy: -1652.433
where: short stacking energy: -673.566
Base-Backbone interact. energy: -2.903
local terms energy: -702.211953
where:
bonds (distance) C4'-P energy: -129.482
bonds (distance) P-C4' energy: -111.145
flat angles C4'-P-C4' energy: -152.763
flat angles P-C4'-P energy: -111.074
tors. eta vs tors. theta energy: -197.746
Dist. restrs. and SS energy: 12.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2223.750737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.750737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.711369 (E_RNA)
where:
Base-Base interactions energy: -1569.196
where: short stacking energy: -631.672
Base-Backbone interact. energy: 0.713
local terms energy: -675.228449
where:
bonds (distance) C4'-P energy: -117.378
bonds (distance) P-C4' energy: -128.612
flat angles C4'-P-C4' energy: -134.005
flat angles P-C4'-P energy: -93.914
tors. eta vs tors. theta energy: -201.320
Dist. restrs. and SS energy: 19.961 (S_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: 105
Temperature: 1.250000
Total energy: -2155.141152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.141152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.187058 (E_RNA)
where:
Base-Base interactions energy: -1538.940
where: short stacking energy: -628.244
Base-Backbone interact. energy: -2.778
local terms energy: -630.468649
where:
bonds (distance) C4'-P energy: -99.693
bonds (distance) P-C4' energy: -110.439
flat angles C4'-P-C4' energy: -143.805
flat angles P-C4'-P energy: -84.298
tors. eta vs tors. theta energy: -192.233
Dist. restrs. and SS energy: 17.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -2018.061763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.061763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.409859 (E_RNA)
where:
Base-Base interactions energy: -1435.441
where: short stacking energy: -570.017
Base-Backbone interact. energy: -1.461
local terms energy: -602.508056
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -109.831
flat angles C4'-P-C4' energy: -123.819
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -165.205
Dist. restrs. and SS energy: 21.348 (S_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: 105
Temperature: 1.350000
Total energy: -1869.986183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.986183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.805424 (E_RNA)
where:
Base-Base interactions energy: -1341.654
where: short stacking energy: -543.946
Base-Backbone interact. energy: -3.982
local terms energy: -551.169177
where:
bonds (distance) C4'-P energy: -92.937
bonds (distance) P-C4' energy: -90.987
flat angles C4'-P-C4' energy: -129.275
flat angles P-C4'-P energy: -72.229
tors. eta vs tors. theta energy: -165.741
Dist. restrs. and SS energy: 26.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2733.510115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.510115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.842286 (E_RNA)
where:
Base-Base interactions energy: -1930.751
where: short stacking energy: -794.084
Base-Backbone interact. energy: -3.844
local terms energy: -806.247087
where:
bonds (distance) C4'-P energy: -138.295
bonds (distance) P-C4' energy: -136.559
flat angles C4'-P-C4' energy: -171.789
flat angles P-C4'-P energy: -112.918
tors. eta vs tors. theta energy: -246.686
Dist. restrs. and SS energy: 7.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2666.001809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.001809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.469719 (E_RNA)
where:
Base-Base interactions energy: -1908.096
where: short stacking energy: -775.337
Base-Backbone interact. energy: -0.454
local terms energy: -767.919889
where:
bonds (distance) C4'-P energy: -124.171
bonds (distance) P-C4' energy: -145.432
flat angles C4'-P-C4' energy: -154.940
flat angles P-C4'-P energy: -102.848
tors. eta vs tors. theta energy: -240.529
Dist. restrs. and SS energy: 10.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2578.524387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.524387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.506303 (E_RNA)
where:
Base-Base interactions energy: -1841.449
where: short stacking energy: -728.391
Base-Backbone interact. energy: -3.962
local terms energy: -738.094932
where:
bonds (distance) C4'-P energy: -122.498
bonds (distance) P-C4' energy: -145.470
flat angles C4'-P-C4' energy: -144.122
flat angles P-C4'-P energy: -113.889
tors. eta vs tors. theta energy: -212.116
Dist. restrs. and SS energy: 4.982 (S_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: 106
Temperature: 1.050000
Total energy: -2501.142086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.142086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.262296 (E_RNA)
where:
Base-Base interactions energy: -1783.298
where: short stacking energy: -734.934
Base-Backbone interact. energy: -3.497
local terms energy: -723.466658
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -118.882
flat angles C4'-P-C4' energy: -150.963
flat angles P-C4'-P energy: -100.468
tors. eta vs tors. theta energy: -233.203
Dist. restrs. and SS energy: 9.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2438.019034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.019034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.605815 (E_RNA)
where:
Base-Base interactions energy: -1745.736
where: short stacking energy: -711.415
Base-Backbone interact. energy: 8.022
local terms energy: -711.891698
where:
bonds (distance) C4'-P energy: -132.013
bonds (distance) P-C4' energy: -132.114
flat angles C4'-P-C4' energy: -143.280
flat angles P-C4'-P energy: -89.248
tors. eta vs tors. theta energy: -215.236
Dist. restrs. and SS energy: 11.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2311.229453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.229453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.770207 (E_RNA)
where:
Base-Base interactions energy: -1676.575
where: short stacking energy: -659.465
Base-Backbone interact. energy: -3.455
local terms energy: -642.740716
where:
bonds (distance) C4'-P energy: -110.467
bonds (distance) P-C4' energy: -112.998
flat angles C4'-P-C4' energy: -134.886
flat angles P-C4'-P energy: -93.839
tors. eta vs tors. theta energy: -190.550
Dist. restrs. and SS energy: 11.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2270.647899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.647899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.702559 (E_RNA)
where:
Base-Base interactions energy: -1608.749
where: short stacking energy: -645.708
Base-Backbone interact. energy: -1.926
local terms energy: -675.027103
where:
bonds (distance) C4'-P energy: -121.824
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -129.682
flat angles P-C4'-P energy: -90.062
tors. eta vs tors. theta energy: -199.087
Dist. restrs. and SS energy: 15.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2156.087209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.087209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.828700 (E_RNA)
where:
Base-Base interactions energy: -1515.250
where: short stacking energy: -629.531
Base-Backbone interact. energy: -1.507
local terms energy: -656.072064
where:
bonds (distance) C4'-P energy: -97.402
bonds (distance) P-C4' energy: -140.023
flat angles C4'-P-C4' energy: -148.225
flat angles P-C4'-P energy: -86.811
tors. eta vs tors. theta energy: -183.611
Dist. restrs. and SS energy: 16.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -2068.634549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.634549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.884499 (E_RNA)
where:
Base-Base interactions energy: -1481.601
where: short stacking energy: -590.065
Base-Backbone interact. energy: -5.103
local terms energy: -594.181141
where:
bonds (distance) C4'-P energy: -103.554
bonds (distance) P-C4' energy: -112.538
flat angles C4'-P-C4' energy: -124.758
flat angles P-C4'-P energy: -67.512
tors. eta vs tors. theta energy: -185.821
Dist. restrs. and SS energy: 12.250 (S_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: 106
Temperature: 1.350000
Total energy: -1924.644928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.644928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.215227 (E_RNA)
where:
Base-Base interactions energy: -1369.159
where: short stacking energy: -551.401
Base-Backbone interact. energy: -1.329
local terms energy: -581.727026
where:
bonds (distance) C4'-P energy: -105.961
bonds (distance) P-C4' energy: -94.180
flat angles C4'-P-C4' energy: -133.312
flat angles P-C4'-P energy: -82.439
tors. eta vs tors. theta energy: -165.835
Dist. restrs. and SS energy: 27.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2727.557447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.557447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.858280 (E_RNA)
where:
Base-Base interactions energy: -1916.424
where: short stacking energy: -792.291
Base-Backbone interact. energy: -1.982
local terms energy: -817.452380
where:
bonds (distance) C4'-P energy: -156.960
bonds (distance) P-C4' energy: -133.880
flat angles C4'-P-C4' energy: -157.660
flat angles P-C4'-P energy: -115.612
tors. eta vs tors. theta energy: -253.341
Dist. restrs. and SS energy: 8.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2676.160885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.160885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.466185 (E_RNA)
where:
Base-Base interactions energy: -1914.653
where: short stacking energy: -766.343
Base-Backbone interact. energy: -0.181
local terms energy: -772.632065
where:
bonds (distance) C4'-P energy: -139.786
bonds (distance) P-C4' energy: -122.028
flat angles C4'-P-C4' energy: -167.107
flat angles P-C4'-P energy: -117.048
tors. eta vs tors. theta energy: -226.663
Dist. restrs. and SS energy: 11.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2584.086936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.086936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.976445 (E_RNA)
where:
Base-Base interactions energy: -1836.470
where: short stacking energy: -725.679
Base-Backbone interact. energy: -0.415
local terms energy: -754.090969
where:
bonds (distance) C4'-P energy: -118.280
bonds (distance) P-C4' energy: -139.316
flat angles C4'-P-C4' energy: -156.397
flat angles P-C4'-P energy: -119.988
tors. eta vs tors. theta energy: -220.109
Dist. restrs. and SS energy: 6.890 (S_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: 107
Temperature: 1.050000
Total energy: -2515.099626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.099626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.585138 (E_RNA)
where:
Base-Base interactions energy: -1794.842
where: short stacking energy: -734.047
Base-Backbone interact. energy: -1.973
local terms energy: -727.770171
where:
bonds (distance) C4'-P energy: -123.994
bonds (distance) P-C4' energy: -133.210
flat angles C4'-P-C4' energy: -152.343
flat angles P-C4'-P energy: -92.321
tors. eta vs tors. theta energy: -225.902
Dist. restrs. and SS energy: 9.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2412.745205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.745205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.477184 (E_RNA)
where:
Base-Base interactions energy: -1702.959
where: short stacking energy: -691.196
Base-Backbone interact. energy: 0.323
local terms energy: -725.840772
where:
bonds (distance) C4'-P energy: -129.072
bonds (distance) P-C4' energy: -130.438
flat angles C4'-P-C4' energy: -145.209
flat angles P-C4'-P energy: -100.092
tors. eta vs tors. theta energy: -221.031
Dist. restrs. and SS energy: 15.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2339.143822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.143822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.525949 (E_RNA)
where:
Base-Base interactions energy: -1648.088
where: short stacking energy: -653.265
Base-Backbone interact. energy: -3.209
local terms energy: -696.229508
where:
bonds (distance) C4'-P energy: -122.872
bonds (distance) P-C4' energy: -119.632
flat angles C4'-P-C4' energy: -151.356
flat angles P-C4'-P energy: -100.386
tors. eta vs tors. theta energy: -201.984
Dist. restrs. and SS energy: 8.382 (S_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: 107
Temperature: 1.200000
Total energy: -2285.732340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.732340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.946546 (E_RNA)
where:
Base-Base interactions energy: -1611.937
where: short stacking energy: -662.704
Base-Backbone interact. energy: -0.875
local terms energy: -692.134453
where:
bonds (distance) C4'-P energy: -120.972
bonds (distance) P-C4' energy: -126.071
flat angles C4'-P-C4' energy: -158.295
flat angles P-C4'-P energy: -92.529
tors. eta vs tors. theta energy: -194.267
Dist. restrs. and SS energy: 19.214 (S_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: 107
Temperature: 1.250000
Total energy: -2150.948467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.948467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.373906 (E_RNA)
where:
Base-Base interactions energy: -1528.034
where: short stacking energy: -603.831
Base-Backbone interact. energy: 9.268
local terms energy: -644.607165
where:
bonds (distance) C4'-P energy: -110.484
bonds (distance) P-C4' energy: -119.742
flat angles C4'-P-C4' energy: -144.825
flat angles P-C4'-P energy: -85.642
tors. eta vs tors. theta energy: -183.914
Dist. restrs. and SS energy: 12.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -2088.391064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.391064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.589182 (E_RNA)
where:
Base-Base interactions energy: -1475.581
where: short stacking energy: -590.517
Base-Backbone interact. energy: -0.280
local terms energy: -628.728423
where:
bonds (distance) C4'-P energy: -121.224
bonds (distance) P-C4' energy: -117.058
flat angles C4'-P-C4' energy: -132.566
flat angles P-C4'-P energy: -80.307
tors. eta vs tors. theta energy: -177.575
Dist. restrs. and SS energy: 16.198 (S_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: 107
Temperature: 1.350000
Total energy: -1860.002202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.002202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.239177 (E_RNA)
where:
Base-Base interactions energy: -1286.466
where: short stacking energy: -512.863
Base-Backbone interact. energy: -0.680
local terms energy: -605.093182
where:
bonds (distance) C4'-P energy: -113.381
bonds (distance) P-C4' energy: -116.246
flat angles C4'-P-C4' energy: -129.455
flat angles P-C4'-P energy: -83.508
tors. eta vs tors. theta energy: -162.503
Dist. restrs. and SS energy: 32.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2738.098363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.098363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.284264 (E_RNA)
where:
Base-Base interactions energy: -1945.509
where: short stacking energy: -804.483
Base-Backbone interact. energy: -2.697
local terms energy: -800.078407
where:
bonds (distance) C4'-P energy: -125.351
bonds (distance) P-C4' energy: -147.432
flat angles C4'-P-C4' energy: -169.810
flat angles P-C4'-P energy: -116.968
tors. eta vs tors. theta energy: -240.517
Dist. restrs. and SS energy: 10.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2658.155992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.155992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.282583 (E_RNA)
where:
Base-Base interactions energy: -1902.563
where: short stacking energy: -792.214
Base-Backbone interact. energy: 0.739
local terms energy: -765.459095
where:
bonds (distance) C4'-P energy: -115.882
bonds (distance) P-C4' energy: -135.645
flat angles C4'-P-C4' energy: -160.137
flat angles P-C4'-P energy: -109.083
tors. eta vs tors. theta energy: -244.712
Dist. restrs. and SS energy: 9.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2593.733086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.733086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.996451 (E_RNA)
where:
Base-Base interactions energy: -1878.823
where: short stacking energy: -755.566
Base-Backbone interact. energy: 1.298
local terms energy: -722.470730
where:
bonds (distance) C4'-P energy: -115.177
bonds (distance) P-C4' energy: -125.878
flat angles C4'-P-C4' energy: -148.006
flat angles P-C4'-P energy: -111.001
tors. eta vs tors. theta energy: -222.408
Dist. restrs. and SS energy: 6.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2511.497493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.497493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.889056 (E_RNA)
where:
Base-Base interactions energy: -1775.207
where: short stacking energy: -713.271
Base-Backbone interact. energy: -2.796
local terms energy: -745.885406
where:
bonds (distance) C4'-P energy: -136.764
bonds (distance) P-C4' energy: -133.648
flat angles C4'-P-C4' energy: -161.320
flat angles P-C4'-P energy: -93.079
tors. eta vs tors. theta energy: -221.073
Dist. restrs. and SS energy: 12.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2449.960895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.960895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.211014 (E_RNA)
where:
Base-Base interactions energy: -1716.021
where: short stacking energy: -718.867
Base-Backbone interact. energy: 0.189
local terms energy: -754.378377
where:
bonds (distance) C4'-P energy: -139.144
bonds (distance) P-C4' energy: -125.957
flat angles C4'-P-C4' energy: -156.799
flat angles P-C4'-P energy: -100.126
tors. eta vs tors. theta energy: -232.352
Dist. restrs. and SS energy: 20.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2334.183424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.183424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.104806 (E_RNA)
where:
Base-Base interactions energy: -1638.834
where: short stacking energy: -695.216
Base-Backbone interact. energy: -3.592
local terms energy: -700.679071
where:
bonds (distance) C4'-P energy: -114.560
bonds (distance) P-C4' energy: -114.660
flat angles C4'-P-C4' energy: -149.323
flat angles P-C4'-P energy: -96.338
tors. eta vs tors. theta energy: -225.798
Dist. restrs. and SS energy: 8.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2258.937461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.937461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.268713 (E_RNA)
where:
Base-Base interactions energy: -1603.674
where: short stacking energy: -651.770
Base-Backbone interact. energy: -3.259
local terms energy: -667.335819
where:
bonds (distance) C4'-P energy: -123.071
bonds (distance) P-C4' energy: -106.387
flat angles C4'-P-C4' energy: -145.012
flat angles P-C4'-P energy: -99.378
tors. eta vs tors. theta energy: -193.489
Dist. restrs. and SS energy: 15.331 (S_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: 108
Temperature: 1.250000
Total energy: -2198.824181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.824181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.291579 (E_RNA)
where:
Base-Base interactions energy: -1559.437
where: short stacking energy: -643.034
Base-Backbone interact. energy: 0.759
local terms energy: -656.613716
where:
bonds (distance) C4'-P energy: -110.570
bonds (distance) P-C4' energy: -132.751
flat angles C4'-P-C4' energy: -121.045
flat angles P-C4'-P energy: -98.642
tors. eta vs tors. theta energy: -193.606
Dist. restrs. and SS energy: 16.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -2069.501826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.501826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.581392 (E_RNA)
where:
Base-Base interactions energy: -1498.138
where: short stacking energy: -591.933
Base-Backbone interact. energy: 6.119
local terms energy: -590.562462
where:
bonds (distance) C4'-P energy: -111.243
bonds (distance) P-C4' energy: -108.667
flat angles C4'-P-C4' energy: -114.515
flat angles P-C4'-P energy: -73.566
tors. eta vs tors. theta energy: -182.571
Dist. restrs. and SS energy: 13.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1940.499296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.499296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.338739 (E_RNA)
where:
Base-Base interactions energy: -1362.848
where: short stacking energy: -547.597
Base-Backbone interact. energy: 0.549
local terms energy: -594.039516
where:
bonds (distance) C4'-P energy: -108.155
bonds (distance) P-C4' energy: -116.869
flat angles C4'-P-C4' energy: -121.873
flat angles P-C4'-P energy: -70.129
tors. eta vs tors. theta energy: -177.014
Dist. restrs. and SS energy: 15.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2743.012646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.012646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.919791 (E_RNA)
where:
Base-Base interactions energy: -1944.205
where: short stacking energy: -795.957
Base-Backbone interact. energy: 0.102
local terms energy: -806.817018
where:
bonds (distance) C4'-P energy: -125.406
bonds (distance) P-C4' energy: -142.972
flat angles C4'-P-C4' energy: -170.633
flat angles P-C4'-P energy: -123.205
tors. eta vs tors. theta energy: -244.601
Dist. restrs. and SS energy: 7.907 (S_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: 109
Temperature: 0.950000
Total energy: -2663.202545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.202545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.476978 (E_RNA)
where:
Base-Base interactions energy: -1896.423
where: short stacking energy: -779.716
Base-Backbone interact. energy: -2.811
local terms energy: -773.243031
where:
bonds (distance) C4'-P energy: -127.826
bonds (distance) P-C4' energy: -129.423
flat angles C4'-P-C4' energy: -167.354
flat angles P-C4'-P energy: -103.552
tors. eta vs tors. theta energy: -245.088
Dist. restrs. and SS energy: 9.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2615.385494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.385494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.046146 (E_RNA)
where:
Base-Base interactions energy: -1848.267
where: short stacking energy: -741.745
Base-Backbone interact. energy: -0.901
local terms energy: -773.878100
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -138.770
flat angles C4'-P-C4' energy: -156.254
flat angles P-C4'-P energy: -120.789
tors. eta vs tors. theta energy: -224.416
Dist. restrs. and SS energy: 7.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2517.352064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.352064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.586972 (E_RNA)
where:
Base-Base interactions energy: -1784.566
where: short stacking energy: -728.690
Base-Backbone interact. energy: 0.103
local terms energy: -743.123448
where:
bonds (distance) C4'-P energy: -132.658
bonds (distance) P-C4' energy: -133.260
flat angles C4'-P-C4' energy: -155.793
flat angles P-C4'-P energy: -93.180
tors. eta vs tors. theta energy: -228.233
Dist. restrs. and SS energy: 10.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2461.032045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.032045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.948694 (E_RNA)
where:
Base-Base interactions energy: -1738.642
where: short stacking energy: -717.313
Base-Backbone interact. energy: -1.555
local terms energy: -735.752444
where:
bonds (distance) C4'-P energy: -132.036
bonds (distance) P-C4' energy: -137.436
flat angles C4'-P-C4' energy: -150.873
flat angles P-C4'-P energy: -94.669
tors. eta vs tors. theta energy: -220.738
Dist. restrs. and SS energy: 14.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2334.924885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.924885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.896565 (E_RNA)
where:
Base-Base interactions energy: -1635.255
where: short stacking energy: -681.870
Base-Backbone interact. energy: -0.567
local terms energy: -713.074479
where:
bonds (distance) C4'-P energy: -127.678
bonds (distance) P-C4' energy: -117.042
flat angles C4'-P-C4' energy: -140.607
flat angles P-C4'-P energy: -123.713
tors. eta vs tors. theta energy: -204.035
Dist. restrs. and SS energy: 13.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2258.015198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.015198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.065037 (E_RNA)
where:
Base-Base interactions energy: -1590.088
where: short stacking energy: -645.696
Base-Backbone interact. energy: -2.040
local terms energy: -678.936586
where:
bonds (distance) C4'-P energy: -101.909
bonds (distance) P-C4' energy: -127.265
flat angles C4'-P-C4' energy: -151.166
flat angles P-C4'-P energy: -89.416
tors. eta vs tors. theta energy: -209.180
Dist. restrs. and SS energy: 13.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2120.834712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.834712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.109770 (E_RNA)
where:
Base-Base interactions energy: -1499.819
where: short stacking energy: -609.953
Base-Backbone interact. energy: -2.699
local terms energy: -631.591654
where:
bonds (distance) C4'-P energy: -109.968
bonds (distance) P-C4' energy: -116.240
flat angles C4'-P-C4' energy: -137.392
flat angles P-C4'-P energy: -85.761
tors. eta vs tors. theta energy: -182.231
Dist. restrs. and SS energy: 13.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -2073.290224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.290224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.017090 (E_RNA)
where:
Base-Base interactions energy: -1481.368
where: short stacking energy: -590.971
Base-Backbone interact. energy: 0.867
local terms energy: -609.515438
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -114.752
flat angles C4'-P-C4' energy: -118.588
flat angles P-C4'-P energy: -94.909
tors. eta vs tors. theta energy: -161.658
Dist. restrs. and SS energy: 16.727 (S_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: 109
Temperature: 1.350000
Total energy: -1831.415445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.415445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.570076 (E_RNA)
where:
Base-Base interactions energy: -1303.485
where: short stacking energy: -516.607
Base-Backbone interact. energy: -1.517
local terms energy: -554.567705
where:
bonds (distance) C4'-P energy: -92.365
bonds (distance) P-C4' energy: -119.733
flat angles C4'-P-C4' energy: -119.546
flat angles P-C4'-P energy: -78.909
tors. eta vs tors. theta energy: -144.015
Dist. restrs. and SS energy: 28.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2728.938104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.938104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.988048 (E_RNA)
where:
Base-Base interactions energy: -1928.145
where: short stacking energy: -821.132
Base-Backbone interact. energy: 0.108
local terms energy: -808.951575
where:
bonds (distance) C4'-P energy: -132.855
bonds (distance) P-C4' energy: -132.323
flat angles C4'-P-C4' energy: -167.386
flat angles P-C4'-P energy: -117.545
tors. eta vs tors. theta energy: -258.841
Dist. restrs. and SS energy: 8.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2650.665236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.665236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.699424 (E_RNA)
where:
Base-Base interactions energy: -1847.950
where: short stacking energy: -744.483
Base-Backbone interact. energy: 0.562
local terms energy: -815.311226
where:
bonds (distance) C4'-P energy: -138.493
bonds (distance) P-C4' energy: -146.240
flat angles C4'-P-C4' energy: -159.138
flat angles P-C4'-P energy: -128.294
tors. eta vs tors. theta energy: -243.146
Dist. restrs. and SS energy: 12.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2559.006613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.006613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.255611 (E_RNA)
where:
Base-Base interactions energy: -1805.079
where: short stacking energy: -751.869
Base-Backbone interact. energy: -3.984
local terms energy: -763.192188
where:
bonds (distance) C4'-P energy: -136.107
bonds (distance) P-C4' energy: -132.346
flat angles C4'-P-C4' energy: -157.301
flat angles P-C4'-P energy: -113.385
tors. eta vs tors. theta energy: -224.054
Dist. restrs. and SS energy: 13.249 (S_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: 110
Temperature: 1.050000
Total energy: -2504.802144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.802144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.551321 (E_RNA)
where:
Base-Base interactions energy: -1759.081
where: short stacking energy: -716.182
Base-Backbone interact. energy: -4.156
local terms energy: -756.314203
where:
bonds (distance) C4'-P energy: -131.841
bonds (distance) P-C4' energy: -136.802
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -110.538
tors. eta vs tors. theta energy: -226.741
Dist. restrs. and SS energy: 14.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2459.072849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.072849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.320252 (E_RNA)
where:
Base-Base interactions energy: -1757.239
where: short stacking energy: -698.159
Base-Backbone interact. energy: -4.322
local terms energy: -710.758916
where:
bonds (distance) C4'-P energy: -125.269
bonds (distance) P-C4' energy: -120.317
flat angles C4'-P-C4' energy: -145.083
flat angles P-C4'-P energy: -99.755
tors. eta vs tors. theta energy: -220.335
Dist. restrs. and SS energy: 13.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2286.291940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.291940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.907271 (E_RNA)
where:
Base-Base interactions energy: -1624.464
where: short stacking energy: -659.145
Base-Backbone interact. energy: -0.591
local terms energy: -672.851785
where:
bonds (distance) C4'-P energy: -115.824
bonds (distance) P-C4' energy: -121.604
flat angles C4'-P-C4' energy: -142.726
flat angles P-C4'-P energy: -93.252
tors. eta vs tors. theta energy: -199.445
Dist. restrs. and SS energy: 11.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2264.936234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.936234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.349017 (E_RNA)
where:
Base-Base interactions energy: -1602.922
where: short stacking energy: -626.875
Base-Backbone interact. energy: -2.167
local terms energy: -668.260198
where:
bonds (distance) C4'-P energy: -138.727
bonds (distance) P-C4' energy: -113.081
flat angles C4'-P-C4' energy: -134.646
flat angles P-C4'-P energy: -83.310
tors. eta vs tors. theta energy: -198.496
Dist. restrs. and SS energy: 8.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2140.673433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.673433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.670873 (E_RNA)
where:
Base-Base interactions energy: -1504.272
where: short stacking energy: -600.200
Base-Backbone interact. energy: -2.639
local terms energy: -645.759913
where:
bonds (distance) C4'-P energy: -109.468
bonds (distance) P-C4' energy: -125.143
flat angles C4'-P-C4' energy: -137.249
flat angles P-C4'-P energy: -81.929
tors. eta vs tors. theta energy: -191.970
Dist. restrs. and SS energy: 11.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -2088.449275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.449275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.462947 (E_RNA)
where:
Base-Base interactions energy: -1504.515
where: short stacking energy: -615.300
Base-Backbone interact. energy: 1.606
local terms energy: -607.554326
where:
bonds (distance) C4'-P energy: -96.810
bonds (distance) P-C4' energy: -115.706
flat angles C4'-P-C4' energy: -124.615
flat angles P-C4'-P energy: -86.275
tors. eta vs tors. theta energy: -184.148
Dist. restrs. and SS energy: 22.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1915.183419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.183419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.396921 (E_RNA)
where:
Base-Base interactions energy: -1327.870
where: short stacking energy: -528.325
Base-Backbone interact. energy: -2.470
local terms energy: -617.056838
where:
bonds (distance) C4'-P energy: -111.379
bonds (distance) P-C4' energy: -121.396
flat angles C4'-P-C4' energy: -135.474
flat angles P-C4'-P energy: -80.569
tors. eta vs tors. theta energy: -168.238
Dist. restrs. and SS energy: 32.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2755.105043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.105043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.886924 (E_RNA)
where:
Base-Base interactions energy: -1941.029
where: short stacking energy: -811.726
Base-Backbone interact. energy: -2.545
local terms energy: -820.312882
where:
bonds (distance) C4'-P energy: -143.665
bonds (distance) P-C4' energy: -143.099
flat angles C4'-P-C4' energy: -173.808
flat angles P-C4'-P energy: -113.603
tors. eta vs tors. theta energy: -246.138
Dist. restrs. and SS energy: 8.782 (S_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: 111
Temperature: 0.950000
Total energy: -2657.469013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.469013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.662221 (E_RNA)
where:
Base-Base interactions energy: -1885.365
where: short stacking energy: -784.290
Base-Backbone interact. energy: -4.340
local terms energy: -776.957839
where:
bonds (distance) C4'-P energy: -132.148
bonds (distance) P-C4' energy: -138.498
flat angles C4'-P-C4' energy: -160.609
flat angles P-C4'-P energy: -103.792
tors. eta vs tors. theta energy: -241.911
Dist. restrs. and SS energy: 9.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2584.583623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.583623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.025395 (E_RNA)
where:
Base-Base interactions energy: -1847.119
where: short stacking energy: -751.928
Base-Backbone interact. energy: -2.326
local terms energy: -744.580538
where:
bonds (distance) C4'-P energy: -130.171
bonds (distance) P-C4' energy: -117.854
flat angles C4'-P-C4' energy: -159.979
flat angles P-C4'-P energy: -104.474
tors. eta vs tors. theta energy: -232.102
Dist. restrs. and SS energy: 9.442 (S_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: 111
Temperature: 1.050000
Total energy: -2542.544327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.544327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.414584 (E_RNA)
where:
Base-Base interactions energy: -1805.303
where: short stacking energy: -743.282
Base-Backbone interact. energy: -0.699
local terms energy: -751.412500
where:
bonds (distance) C4'-P energy: -129.715
bonds (distance) P-C4' energy: -127.683
flat angles C4'-P-C4' energy: -148.391
flat angles P-C4'-P energy: -112.078
tors. eta vs tors. theta energy: -233.545
Dist. restrs. and SS energy: 14.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2495.181013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.181013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.429801 (E_RNA)
where:
Base-Base interactions energy: -1779.121
where: short stacking energy: -711.381
Base-Backbone interact. energy: -2.395
local terms energy: -724.913761
where:
bonds (distance) C4'-P energy: -118.867
bonds (distance) P-C4' energy: -122.014
flat angles C4'-P-C4' energy: -149.942
flat angles P-C4'-P energy: -109.878
tors. eta vs tors. theta energy: -224.214
Dist. restrs. and SS energy: 11.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2413.849508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.849508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.870224 (E_RNA)
where:
Base-Base interactions energy: -1708.103
where: short stacking energy: -715.232
Base-Backbone interact. energy: -0.474
local terms energy: -715.292565
where:
bonds (distance) C4'-P energy: -113.758
bonds (distance) P-C4' energy: -121.797
flat angles C4'-P-C4' energy: -159.847
flat angles P-C4'-P energy: -97.781
tors. eta vs tors. theta energy: -222.110
Dist. restrs. and SS energy: 10.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2233.506255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.506255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.832194 (E_RNA)
where:
Base-Base interactions energy: -1596.869
where: short stacking energy: -649.050
Base-Backbone interact. energy: -0.025
local terms energy: -653.937411
where:
bonds (distance) C4'-P energy: -108.842
bonds (distance) P-C4' energy: -108.137
flat angles C4'-P-C4' energy: -139.936
flat angles P-C4'-P energy: -105.950
tors. eta vs tors. theta energy: -191.072
Dist. restrs. and SS energy: 17.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -2177.916790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.916790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.542144 (E_RNA)
where:
Base-Base interactions energy: -1538.046
where: short stacking energy: -658.199
Base-Backbone interact. energy: -2.781
local terms energy: -646.714595
where:
bonds (distance) C4'-P energy: -108.009
bonds (distance) P-C4' energy: -135.529
flat angles C4'-P-C4' energy: -144.370
flat angles P-C4'-P energy: -77.228
tors. eta vs tors. theta energy: -181.580
Dist. restrs. and SS energy: 9.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -2069.306444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.306444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.193261 (E_RNA)
where:
Base-Base interactions energy: -1491.132
where: short stacking energy: -595.151
Base-Backbone interact. energy: -1.950
local terms energy: -594.111975
where:
bonds (distance) C4'-P energy: -117.039
bonds (distance) P-C4' energy: -92.915
flat angles C4'-P-C4' energy: -127.132
flat angles P-C4'-P energy: -91.207
tors. eta vs tors. theta energy: -165.819
Dist. restrs. and SS energy: 17.887 (S_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: -1915.805768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.805768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.731283 (E_RNA)
where:
Base-Base interactions energy: -1362.947
where: short stacking energy: -546.045
Base-Backbone interact. energy: -0.865
local terms energy: -577.918685
where:
bonds (distance) C4'-P energy: -107.284
bonds (distance) P-C4' energy: -125.795
flat angles C4'-P-C4' energy: -113.005
flat angles P-C4'-P energy: -84.528
tors. eta vs tors. theta energy: -147.306
Dist. restrs. and SS energy: 25.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2738.064275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.064275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.206296 (E_RNA)
where:
Base-Base interactions energy: -1924.711
where: short stacking energy: -810.912
Base-Backbone interact. energy: -2.354
local terms energy: -822.141088
where:
bonds (distance) C4'-P energy: -141.791
bonds (distance) P-C4' energy: -146.125
flat angles C4'-P-C4' energy: -162.397
flat angles P-C4'-P energy: -112.978
tors. eta vs tors. theta energy: -258.849
Dist. restrs. and SS energy: 11.142 (S_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: 112
Temperature: 0.950000
Total energy: -2676.612168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.612168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.615871 (E_RNA)
where:
Base-Base interactions energy: -1896.858
where: short stacking energy: -761.963
Base-Backbone interact. energy: -0.624
local terms energy: -789.133534
where:
bonds (distance) C4'-P energy: -136.210
bonds (distance) P-C4' energy: -140.655
flat angles C4'-P-C4' energy: -161.154
flat angles P-C4'-P energy: -111.736
tors. eta vs tors. theta energy: -239.378
Dist. restrs. and SS energy: 10.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2570.986971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.986971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.908510 (E_RNA)
where:
Base-Base interactions energy: -1815.874
where: short stacking energy: -738.362
Base-Backbone interact. energy: 7.420
local terms energy: -770.455264
where:
bonds (distance) C4'-P energy: -131.109
bonds (distance) P-C4' energy: -140.605
flat angles C4'-P-C4' energy: -155.387
flat angles P-C4'-P energy: -120.975
tors. eta vs tors. theta energy: -222.379
Dist. restrs. and SS energy: 7.922 (S_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: 112
Temperature: 1.050000
Total energy: -2506.150781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.150781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.712283 (E_RNA)
where:
Base-Base interactions energy: -1787.977
where: short stacking energy: -727.255
Base-Backbone interact. energy: -1.049
local terms energy: -724.686910
where:
bonds (distance) C4'-P energy: -117.737
bonds (distance) P-C4' energy: -117.196
flat angles C4'-P-C4' energy: -154.424
flat angles P-C4'-P energy: -110.307
tors. eta vs tors. theta energy: -225.022
Dist. restrs. and SS energy: 7.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2486.718576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.718576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.839384 (E_RNA)
where:
Base-Base interactions energy: -1789.388
where: short stacking energy: -727.471
Base-Backbone interact. energy: 1.574
local terms energy: -710.024681
where:
bonds (distance) C4'-P energy: -131.645
bonds (distance) P-C4' energy: -118.149
flat angles C4'-P-C4' energy: -145.903
flat angles P-C4'-P energy: -91.089
tors. eta vs tors. theta energy: -223.238
Dist. restrs. and SS energy: 11.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2363.227626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.227626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.745653 (E_RNA)
where:
Base-Base interactions energy: -1668.845
where: short stacking energy: -685.112
Base-Backbone interact. energy: -3.078
local terms energy: -701.823445
where:
bonds (distance) C4'-P energy: -128.307
bonds (distance) P-C4' energy: -117.457
flat angles C4'-P-C4' energy: -146.775
flat angles P-C4'-P energy: -96.964
tors. eta vs tors. theta energy: -212.320
Dist. restrs. and SS energy: 10.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2255.422416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.422416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.272130 (E_RNA)
where:
Base-Base interactions energy: -1579.570
where: short stacking energy: -627.761
Base-Backbone interact. energy: 0.019
local terms energy: -682.721810
where:
bonds (distance) C4'-P energy: -115.421
bonds (distance) P-C4' energy: -139.165
flat angles C4'-P-C4' energy: -150.567
flat angles P-C4'-P energy: -91.905
tors. eta vs tors. theta energy: -185.663
Dist. restrs. and SS energy: 6.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2193.124451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.124451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.927497 (E_RNA)
where:
Base-Base interactions energy: -1577.045
where: short stacking energy: -656.300
Base-Backbone interact. energy: -0.665
local terms energy: -634.217873
where:
bonds (distance) C4'-P energy: -111.082
bonds (distance) P-C4' energy: -102.536
flat angles C4'-P-C4' energy: -136.816
flat angles P-C4'-P energy: -86.407
tors. eta vs tors. theta energy: -197.377
Dist. restrs. and SS energy: 18.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -2079.955603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.955603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.526940 (E_RNA)
where:
Base-Base interactions energy: -1497.421
where: short stacking energy: -596.676
Base-Backbone interact. energy: -2.656
local terms energy: -595.449572
where:
bonds (distance) C4'-P energy: -107.231
bonds (distance) P-C4' energy: -103.359
flat angles C4'-P-C4' energy: -129.170
flat angles P-C4'-P energy: -79.548
tors. eta vs tors. theta energy: -176.141
Dist. restrs. and SS energy: 15.571 (S_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: 112
Temperature: 1.350000
Total energy: -1857.046375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.046375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.578688 (E_RNA)
where:
Base-Base interactions energy: -1302.556
where: short stacking energy: -523.297
Base-Backbone interact. energy: -4.802
local terms energy: -576.220464
where:
bonds (distance) C4'-P energy: -97.984
bonds (distance) P-C4' energy: -115.764
flat angles C4'-P-C4' energy: -133.492
flat angles P-C4'-P energy: -73.962
tors. eta vs tors. theta energy: -155.018
Dist. restrs. and SS energy: 26.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2742.412308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.412308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.498048 (E_RNA)
where:
Base-Base interactions energy: -1914.906
where: short stacking energy: -800.458
Base-Backbone interact. energy: -1.493
local terms energy: -833.098963
where:
bonds (distance) C4'-P energy: -145.267
bonds (distance) P-C4' energy: -138.328
flat angles C4'-P-C4' energy: -173.157
flat angles P-C4'-P energy: -127.291
tors. eta vs tors. theta energy: -249.055
Dist. restrs. and SS energy: 7.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2632.189861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.189861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.517078 (E_RNA)
where:
Base-Base interactions energy: -1879.859
where: short stacking energy: -784.368
Base-Backbone interact. energy: -0.882
local terms energy: -763.776737
where:
bonds (distance) C4'-P energy: -129.693
bonds (distance) P-C4' energy: -126.358
flat angles C4'-P-C4' energy: -161.623
flat angles P-C4'-P energy: -105.736
tors. eta vs tors. theta energy: -240.367
Dist. restrs. and SS energy: 12.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2598.388586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.388586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.053397 (E_RNA)
where:
Base-Base interactions energy: -1831.202
where: short stacking energy: -750.148
Base-Backbone interact. energy: 0.003
local terms energy: -778.854103
where:
bonds (distance) C4'-P energy: -144.726
bonds (distance) P-C4' energy: -127.992
flat angles C4'-P-C4' energy: -159.653
flat angles P-C4'-P energy: -112.137
tors. eta vs tors. theta energy: -234.346
Dist. restrs. and SS energy: 11.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2539.416227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.416227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.432525 (E_RNA)
where:
Base-Base interactions energy: -1827.342
where: short stacking energy: -740.000
Base-Backbone interact. energy: -0.357
local terms energy: -724.733471
where:
bonds (distance) C4'-P energy: -123.059
bonds (distance) P-C4' energy: -126.478
flat angles C4'-P-C4' energy: -147.120
flat angles P-C4'-P energy: -102.889
tors. eta vs tors. theta energy: -225.187
Dist. restrs. and SS energy: 13.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2422.956892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.956892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.933909 (E_RNA)
where:
Base-Base interactions energy: -1725.011
where: short stacking energy: -727.463
Base-Backbone interact. energy: 3.684
local terms energy: -708.607612
where:
bonds (distance) C4'-P energy: -121.199
bonds (distance) P-C4' energy: -115.333
flat angles C4'-P-C4' energy: -146.495
flat angles P-C4'-P energy: -107.220
tors. eta vs tors. theta energy: -218.360
Dist. restrs. and SS energy: 6.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2322.710251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.710251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.639247 (E_RNA)
where:
Base-Base interactions energy: -1638.639
where: short stacking energy: -685.594
Base-Backbone interact. energy: -2.602
local terms energy: -695.397891
where:
bonds (distance) C4'-P energy: -136.866
bonds (distance) P-C4' energy: -105.798
flat angles C4'-P-C4' energy: -142.601
flat angles P-C4'-P energy: -98.655
tors. eta vs tors. theta energy: -211.477
Dist. restrs. and SS energy: 13.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2273.354989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.354989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.501252 (E_RNA)
where:
Base-Base interactions energy: -1623.884
where: short stacking energy: -666.931
Base-Backbone interact. energy: -2.200
local terms energy: -662.417511
where:
bonds (distance) C4'-P energy: -113.212
bonds (distance) P-C4' energy: -103.930
flat angles C4'-P-C4' energy: -136.723
flat angles P-C4'-P energy: -104.443
tors. eta vs tors. theta energy: -204.109
Dist. restrs. and SS energy: 15.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -2135.634597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.634597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.342983 (E_RNA)
where:
Base-Base interactions energy: -1555.454
where: short stacking energy: -601.052
Base-Backbone interact. energy: -0.997
local terms energy: -594.891918
where:
bonds (distance) C4'-P energy: -103.917
bonds (distance) P-C4' energy: -87.540
flat angles C4'-P-C4' energy: -132.982
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -193.989
Dist. restrs. and SS energy: 15.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -2086.271707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.271707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.448266 (E_RNA)
where:
Base-Base interactions energy: -1509.701
where: short stacking energy: -597.978
Base-Backbone interact. energy: 0.488
local terms energy: -592.235948
where:
bonds (distance) C4'-P energy: -78.192
bonds (distance) P-C4' energy: -106.586
flat angles C4'-P-C4' energy: -138.045
flat angles P-C4'-P energy: -94.468
tors. eta vs tors. theta energy: -174.945
Dist. restrs. and SS energy: 15.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1874.168513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.168513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.704794 (E_RNA)
where:
Base-Base interactions energy: -1326.288
where: short stacking energy: -528.649
Base-Backbone interact. energy: -1.725
local terms energy: -567.692558
where:
bonds (distance) C4'-P energy: -96.384
bonds (distance) P-C4' energy: -115.848
flat angles C4'-P-C4' energy: -118.309
flat angles P-C4'-P energy: -84.515
tors. eta vs tors. theta energy: -152.636
Dist. restrs. and SS energy: 21.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2737.564032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.564032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.939537 (E_RNA)
where:
Base-Base interactions energy: -1939.988
where: short stacking energy: -792.025
Base-Backbone interact. energy: -1.420
local terms energy: -804.531955
where:
bonds (distance) C4'-P energy: -128.841
bonds (distance) P-C4' energy: -141.497
flat angles C4'-P-C4' energy: -173.351
flat angles P-C4'-P energy: -108.514
tors. eta vs tors. theta energy: -252.329
Dist. restrs. and SS energy: 8.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2660.797439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.797439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.197971 (E_RNA)
where:
Base-Base interactions energy: -1884.629
where: short stacking energy: -784.017
Base-Backbone interact. energy: -1.414
local terms energy: -788.155081
where:
bonds (distance) C4'-P energy: -132.747
bonds (distance) P-C4' energy: -134.872
flat angles C4'-P-C4' energy: -164.001
flat angles P-C4'-P energy: -122.981
tors. eta vs tors. theta energy: -233.554
Dist. restrs. and SS energy: 13.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2591.317649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.317649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.951751 (E_RNA)
where:
Base-Base interactions energy: -1830.368
where: short stacking energy: -727.360
Base-Backbone interact. energy: -3.326
local terms energy: -767.257792
where:
bonds (distance) C4'-P energy: -126.513
bonds (distance) P-C4' energy: -128.637
flat angles C4'-P-C4' energy: -155.826
flat angles P-C4'-P energy: -115.431
tors. eta vs tors. theta energy: -240.850
Dist. restrs. and SS energy: 9.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2578.298926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.298926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.823615 (E_RNA)
where:
Base-Base interactions energy: -1825.962
where: short stacking energy: -746.161
Base-Backbone interact. energy: -0.579
local terms energy: -762.282970
where:
bonds (distance) C4'-P energy: -135.980
bonds (distance) P-C4' energy: -131.018
flat angles C4'-P-C4' energy: -156.433
flat angles P-C4'-P energy: -111.984
tors. eta vs tors. theta energy: -226.868
Dist. restrs. and SS energy: 10.525 (S_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: 114
Temperature: 1.100000
Total energy: -2423.148266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.148266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.592855 (E_RNA)
where:
Base-Base interactions energy: -1744.362
where: short stacking energy: -720.034
Base-Backbone interact. energy: -2.657
local terms energy: -685.573213
where:
bonds (distance) C4'-P energy: -107.081
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -154.030
flat angles P-C4'-P energy: -83.810
tors. eta vs tors. theta energy: -210.521
Dist. restrs. and SS energy: 9.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2335.506767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.506767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.535754 (E_RNA)
where:
Base-Base interactions energy: -1668.872
where: short stacking energy: -672.743
Base-Backbone interact. energy: -2.056
local terms energy: -681.607848
where:
bonds (distance) C4'-P energy: -104.783
bonds (distance) P-C4' energy: -127.615
flat angles C4'-P-C4' energy: -149.147
flat angles P-C4'-P energy: -89.523
tors. eta vs tors. theta energy: -210.539
Dist. restrs. and SS energy: 17.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2250.468789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.468789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.478752 (E_RNA)
where:
Base-Base interactions energy: -1613.288
where: short stacking energy: -667.371
Base-Backbone interact. energy: -2.661
local terms energy: -655.529846
where:
bonds (distance) C4'-P energy: -121.621
bonds (distance) P-C4' energy: -97.361
flat angles C4'-P-C4' energy: -137.629
flat angles P-C4'-P energy: -99.041
tors. eta vs tors. theta energy: -199.877
Dist. restrs. and SS energy: 21.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -2152.847676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.847676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.378952 (E_RNA)
where:
Base-Base interactions energy: -1557.990
where: short stacking energy: -618.220
Base-Backbone interact. energy: -1.680
local terms energy: -610.708707
where:
bonds (distance) C4'-P energy: -108.669
bonds (distance) P-C4' energy: -98.509
flat angles C4'-P-C4' energy: -128.375
flat angles P-C4'-P energy: -83.605
tors. eta vs tors. theta energy: -191.552
Dist. restrs. and SS energy: 17.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -2101.532425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.532425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.145741 (E_RNA)
where:
Base-Base interactions energy: -1523.198
where: short stacking energy: -609.928
Base-Backbone interact. energy: -3.802
local terms energy: -593.144811
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -109.843
flat angles C4'-P-C4' energy: -113.447
flat angles P-C4'-P energy: -75.928
tors. eta vs tors. theta energy: -187.767
Dist. restrs. and SS energy: 18.613 (S_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: 114
Temperature: 1.350000
Total energy: -1853.204139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.204139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.172245 (E_RNA)
where:
Base-Base interactions energy: -1320.246
where: short stacking energy: -517.473
Base-Backbone interact. energy: 1.125
local terms energy: -563.051269
where:
bonds (distance) C4'-P energy: -99.133
bonds (distance) P-C4' energy: -96.658
flat angles C4'-P-C4' energy: -132.756
flat angles P-C4'-P energy: -80.672
tors. eta vs tors. theta energy: -153.832
Dist. restrs. and SS energy: 28.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2752.018568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.018568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.409236 (E_RNA)
where:
Base-Base interactions energy: -1933.743
where: short stacking energy: -810.256
Base-Backbone interact. energy: 0.243
local terms energy: -826.908451
where:
bonds (distance) C4'-P energy: -141.653
bonds (distance) P-C4' energy: -154.728
flat angles C4'-P-C4' energy: -168.898
flat angles P-C4'-P energy: -109.981
tors. eta vs tors. theta energy: -251.649
Dist. restrs. and SS energy: 8.391 (S_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: 115
Temperature: 0.950000
Total energy: -2644.252154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.252154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.035159 (E_RNA)
where:
Base-Base interactions energy: -1872.450
where: short stacking energy: -769.027
Base-Backbone interact. energy: -1.060
local terms energy: -781.525644
where:
bonds (distance) C4'-P energy: -132.882
bonds (distance) P-C4' energy: -132.381
flat angles C4'-P-C4' energy: -159.901
flat angles P-C4'-P energy: -119.739
tors. eta vs tors. theta energy: -236.623
Dist. restrs. and SS energy: 10.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2595.113003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.113003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.489068 (E_RNA)
where:
Base-Base interactions energy: -1835.695
where: short stacking energy: -757.292
Base-Backbone interact. energy: -3.155
local terms energy: -768.638900
where:
bonds (distance) C4'-P energy: -123.865
bonds (distance) P-C4' energy: -135.472
flat angles C4'-P-C4' energy: -159.975
flat angles P-C4'-P energy: -119.966
tors. eta vs tors. theta energy: -229.361
Dist. restrs. and SS energy: 12.376 (S_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: 115
Temperature: 1.050000
Total energy: -2538.182217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.182217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.129973 (E_RNA)
where:
Base-Base interactions energy: -1774.068
where: short stacking energy: -753.319
Base-Backbone interact. energy: -2.694
local terms energy: -774.367734
where:
bonds (distance) C4'-P energy: -127.847
bonds (distance) P-C4' energy: -135.043
flat angles C4'-P-C4' energy: -158.973
flat angles P-C4'-P energy: -108.516
tors. eta vs tors. theta energy: -243.988
Dist. restrs. and SS energy: 12.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2494.049248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.049248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.150072 (E_RNA)
where:
Base-Base interactions energy: -1777.047
where: short stacking energy: -715.827
Base-Backbone interact. energy: -2.997
local terms energy: -725.105374
where:
bonds (distance) C4'-P energy: -133.950
bonds (distance) P-C4' energy: -114.168
flat angles C4'-P-C4' energy: -148.195
flat angles P-C4'-P energy: -100.602
tors. eta vs tors. theta energy: -228.190
Dist. restrs. and SS energy: 11.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2340.548520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.548520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.919974 (E_RNA)
where:
Base-Base interactions energy: -1635.229
where: short stacking energy: -666.004
Base-Backbone interact. energy: -1.672
local terms energy: -712.019216
where:
bonds (distance) C4'-P energy: -133.707
bonds (distance) P-C4' energy: -114.506
flat angles C4'-P-C4' energy: -157.719
flat angles P-C4'-P energy: -98.911
tors. eta vs tors. theta energy: -207.175
Dist. restrs. and SS energy: 8.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2272.684611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.684611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.435159 (E_RNA)
where:
Base-Base interactions energy: -1585.613
where: short stacking energy: -638.336
Base-Backbone interact. energy: 1.943
local terms energy: -701.765240
where:
bonds (distance) C4'-P energy: -132.525
bonds (distance) P-C4' energy: -130.644
flat angles C4'-P-C4' energy: -145.984
flat angles P-C4'-P energy: -98.081
tors. eta vs tors. theta energy: -194.531
Dist. restrs. and SS energy: 12.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -2173.742009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.742009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.294563 (E_RNA)
where:
Base-Base interactions energy: -1547.833
where: short stacking energy: -622.252
Base-Backbone interact. energy: -3.167
local terms energy: -640.294528
where:
bonds (distance) C4'-P energy: -116.360
bonds (distance) P-C4' energy: -123.384
flat angles C4'-P-C4' energy: -121.910
flat angles P-C4'-P energy: -82.621
tors. eta vs tors. theta energy: -196.020
Dist. restrs. and SS energy: 17.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -2100.320157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.320157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.205932 (E_RNA)
where:
Base-Base interactions energy: -1544.479
where: short stacking energy: -634.495
Base-Backbone interact. energy: -0.539
local terms energy: -573.187705
where:
bonds (distance) C4'-P energy: -99.074
bonds (distance) P-C4' energy: -97.971
flat angles C4'-P-C4' energy: -128.702
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -194.421
Dist. restrs. and SS energy: 17.886 (S_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: 115
Temperature: 1.350000
Total energy: -1894.531692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.531692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.503105 (E_RNA)
where:
Base-Base interactions energy: -1350.011
where: short stacking energy: -548.469
Base-Backbone interact. energy: 2.573
local terms energy: -579.065482
where:
bonds (distance) C4'-P energy: -102.117
bonds (distance) P-C4' energy: -117.216
flat angles C4'-P-C4' energy: -125.492
flat angles P-C4'-P energy: -77.092
tors. eta vs tors. theta energy: -157.150
Dist. restrs. and SS energy: 31.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2709.955322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.955322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.437774 (E_RNA)
where:
Base-Base interactions energy: -1898.610
where: short stacking energy: -795.749
Base-Backbone interact. energy: -2.195
local terms energy: -816.632153
where:
bonds (distance) C4'-P energy: -156.344
bonds (distance) P-C4' energy: -145.042
flat angles C4'-P-C4' energy: -159.404
flat angles P-C4'-P energy: -123.024
tors. eta vs tors. theta energy: -232.818
Dist. restrs. and SS energy: 7.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2667.859413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.859413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.346208 (E_RNA)
where:
Base-Base interactions energy: -1895.499
where: short stacking energy: -780.079
Base-Backbone interact. energy: -1.255
local terms energy: -780.592573
where:
bonds (distance) C4'-P energy: -128.821
bonds (distance) P-C4' energy: -141.392
flat angles C4'-P-C4' energy: -158.816
flat angles P-C4'-P energy: -112.960
tors. eta vs tors. theta energy: -238.604
Dist. restrs. and SS energy: 9.487 (S_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: 116
Temperature: 1.000000
Total energy: -2550.678352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.678352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.146732 (E_RNA)
where:
Base-Base interactions energy: -1809.284
where: short stacking energy: -752.991
Base-Backbone interact. energy: -2.068
local terms energy: -747.794822
where:
bonds (distance) C4'-P energy: -137.418
bonds (distance) P-C4' energy: -129.276
flat angles C4'-P-C4' energy: -148.266
flat angles P-C4'-P energy: -105.088
tors. eta vs tors. theta energy: -227.746
Dist. restrs. and SS energy: 8.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2552.780430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.780430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.103381 (E_RNA)
where:
Base-Base interactions energy: -1786.428
where: short stacking energy: -730.738
Base-Backbone interact. energy: -2.173
local terms energy: -773.502640
where:
bonds (distance) C4'-P energy: -142.939
bonds (distance) P-C4' energy: -126.541
flat angles C4'-P-C4' energy: -157.697
flat angles P-C4'-P energy: -112.454
tors. eta vs tors. theta energy: -233.871
Dist. restrs. and SS energy: 9.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2454.571426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.571426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.377910 (E_RNA)
where:
Base-Base interactions energy: -1756.465
where: short stacking energy: -704.123
Base-Backbone interact. energy: 0.545
local terms energy: -711.458035
where:
bonds (distance) C4'-P energy: -109.198
bonds (distance) P-C4' energy: -128.977
flat angles C4'-P-C4' energy: -156.488
flat angles P-C4'-P energy: -95.277
tors. eta vs tors. theta energy: -221.518
Dist. restrs. and SS energy: 12.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2354.299475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.299475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.350368 (E_RNA)
where:
Base-Base interactions energy: -1670.509
where: short stacking energy: -671.091
Base-Backbone interact. energy: -2.794
local terms energy: -691.047491
where:
bonds (distance) C4'-P energy: -124.029
bonds (distance) P-C4' energy: -114.566
flat angles C4'-P-C4' energy: -142.610
flat angles P-C4'-P energy: -96.333
tors. eta vs tors. theta energy: -213.510
Dist. restrs. and SS energy: 10.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2244.718689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.718689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.693722 (E_RNA)
where:
Base-Base interactions energy: -1602.741
where: short stacking energy: -646.259
Base-Backbone interact. energy: -1.407
local terms energy: -651.546282
where:
bonds (distance) C4'-P energy: -108.296
bonds (distance) P-C4' energy: -114.458
flat angles C4'-P-C4' energy: -134.926
flat angles P-C4'-P energy: -103.122
tors. eta vs tors. theta energy: -190.744
Dist. restrs. and SS energy: 10.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -2104.158766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.158766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.086553 (E_RNA)
where:
Base-Base interactions energy: -1463.585
where: short stacking energy: -594.839
Base-Backbone interact. energy: -1.906
local terms energy: -656.595280
where:
bonds (distance) C4'-P energy: -114.695
bonds (distance) P-C4' energy: -109.817
flat angles C4'-P-C4' energy: -138.952
flat angles P-C4'-P energy: -103.253
tors. eta vs tors. theta energy: -189.877
Dist. restrs. and SS energy: 17.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -2084.701359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.701359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.941980 (E_RNA)
where:
Base-Base interactions energy: -1496.051
where: short stacking energy: -589.064
Base-Backbone interact. energy: -4.478
local terms energy: -593.412551
where:
bonds (distance) C4'-P energy: -108.089
bonds (distance) P-C4' energy: -107.062
flat angles C4'-P-C4' energy: -118.716
flat angles P-C4'-P energy: -89.450
tors. eta vs tors. theta energy: -170.095
Dist. restrs. and SS energy: 9.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1895.955269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.955269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.047517 (E_RNA)
where:
Base-Base interactions energy: -1369.193
where: short stacking energy: -554.372
Base-Backbone interact. energy: -0.953
local terms energy: -549.900853
where:
bonds (distance) C4'-P energy: -96.048
bonds (distance) P-C4' energy: -122.191
flat angles C4'-P-C4' energy: -116.208
flat angles P-C4'-P energy: -64.884
tors. eta vs tors. theta energy: -150.569
Dist. restrs. and SS energy: 24.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2716.346337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.346337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.366313 (E_RNA)
where:
Base-Base interactions energy: -1915.215
where: short stacking energy: -771.934
Base-Backbone interact. energy: -0.283
local terms energy: -805.868331
where:
bonds (distance) C4'-P energy: -147.026
bonds (distance) P-C4' energy: -144.344
flat angles C4'-P-C4' energy: -159.332
flat angles P-C4'-P energy: -115.129
tors. eta vs tors. theta energy: -240.038
Dist. restrs. and SS energy: 5.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2634.806764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.806764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.638856 (E_RNA)
where:
Base-Base interactions energy: -1870.810
where: short stacking energy: -770.260
Base-Backbone interact. energy: 0.466
local terms energy: -777.294199
where:
bonds (distance) C4'-P energy: -131.917
bonds (distance) P-C4' energy: -144.224
flat angles C4'-P-C4' energy: -152.797
flat angles P-C4'-P energy: -111.374
tors. eta vs tors. theta energy: -236.982
Dist. restrs. and SS energy: 12.832 (S_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: 117
Temperature: 1.000000
Total energy: -2578.914691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.914691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.546032 (E_RNA)
where:
Base-Base interactions energy: -1822.585
where: short stacking energy: -762.107
Base-Backbone interact. energy: -3.209
local terms energy: -761.751181
where:
bonds (distance) C4'-P energy: -113.628
bonds (distance) P-C4' energy: -128.636
flat angles C4'-P-C4' energy: -163.454
flat angles P-C4'-P energy: -116.940
tors. eta vs tors. theta energy: -239.093
Dist. restrs. and SS energy: 8.631 (S_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: 117
Temperature: 1.050000
Total energy: -2525.941792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.941792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.038031 (E_RNA)
where:
Base-Base interactions energy: -1798.717
where: short stacking energy: -719.232
Base-Backbone interact. energy: -1.900
local terms energy: -732.420745
where:
bonds (distance) C4'-P energy: -115.098
bonds (distance) P-C4' energy: -122.868
flat angles C4'-P-C4' energy: -157.898
flat angles P-C4'-P energy: -107.910
tors. eta vs tors. theta energy: -228.647
Dist. restrs. and SS energy: 7.096 (S_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: 117
Temperature: 1.100000
Total energy: -2463.154115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.154115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.108353 (E_RNA)
where:
Base-Base interactions energy: -1756.245
where: short stacking energy: -727.062
Base-Backbone interact. energy: -1.087
local terms energy: -715.776327
where:
bonds (distance) C4'-P energy: -112.586
bonds (distance) P-C4' energy: -123.718
flat angles C4'-P-C4' energy: -140.520
flat angles P-C4'-P energy: -112.745
tors. eta vs tors. theta energy: -226.207
Dist. restrs. and SS energy: 9.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2338.903677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.903677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.045882 (E_RNA)
where:
Base-Base interactions energy: -1665.189
where: short stacking energy: -672.649
Base-Backbone interact. energy: -0.431
local terms energy: -682.425851
where:
bonds (distance) C4'-P energy: -110.132
bonds (distance) P-C4' energy: -113.403
flat angles C4'-P-C4' energy: -145.694
flat angles P-C4'-P energy: -100.109
tors. eta vs tors. theta energy: -213.088
Dist. restrs. and SS energy: 9.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2324.076424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.076424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.648940 (E_RNA)
where:
Base-Base interactions energy: -1662.984
where: short stacking energy: -687.895
Base-Backbone interact. energy: -4.359
local terms energy: -667.305876
where:
bonds (distance) C4'-P energy: -114.132
bonds (distance) P-C4' energy: -105.634
flat angles C4'-P-C4' energy: -139.444
flat angles P-C4'-P energy: -99.800
tors. eta vs tors. theta energy: -208.296
Dist. restrs. and SS energy: 10.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2119.791148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.791148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.408351 (E_RNA)
where:
Base-Base interactions energy: -1515.518
where: short stacking energy: -602.053
Base-Backbone interact. energy: 1.044
local terms energy: -625.935198
where:
bonds (distance) C4'-P energy: -117.388
bonds (distance) P-C4' energy: -98.497
flat angles C4'-P-C4' energy: -139.891
flat angles P-C4'-P energy: -86.231
tors. eta vs tors. theta energy: -183.928
Dist. restrs. and SS energy: 20.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -2081.432546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.432546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.480792 (E_RNA)
where:
Base-Base interactions energy: -1468.483
where: short stacking energy: -575.956
Base-Backbone interact. energy: -3.425
local terms energy: -631.572933
where:
bonds (distance) C4'-P energy: -111.672
bonds (distance) P-C4' energy: -115.337
flat angles C4'-P-C4' energy: -143.887
flat angles P-C4'-P energy: -87.695
tors. eta vs tors. theta energy: -172.982
Dist. restrs. and SS energy: 22.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1865.169362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.169362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.921389 (E_RNA)
where:
Base-Base interactions energy: -1338.021
where: short stacking energy: -526.939
Base-Backbone interact. energy: 1.835
local terms energy: -557.735270
where:
bonds (distance) C4'-P energy: -104.386
bonds (distance) P-C4' energy: -97.172
flat angles C4'-P-C4' energy: -137.229
flat angles P-C4'-P energy: -69.281
tors. eta vs tors. theta energy: -149.667
Dist. restrs. and SS energy: 28.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2742.210659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.210659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.536358 (E_RNA)
where:
Base-Base interactions energy: -1939.839
where: short stacking energy: -797.955
Base-Backbone interact. energy: -2.616
local terms energy: -805.081308
where:
bonds (distance) C4'-P energy: -137.705
bonds (distance) P-C4' energy: -133.844
flat angles C4'-P-C4' energy: -163.993
flat angles P-C4'-P energy: -116.118
tors. eta vs tors. theta energy: -253.421
Dist. restrs. and SS energy: 5.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2647.544649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.544649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.310722 (E_RNA)
where:
Base-Base interactions energy: -1864.569
where: short stacking energy: -776.707
Base-Backbone interact. energy: -3.618
local terms energy: -795.123332
where:
bonds (distance) C4'-P energy: -142.793
bonds (distance) P-C4' energy: -129.041
flat angles C4'-P-C4' energy: -165.790
flat angles P-C4'-P energy: -115.214
tors. eta vs tors. theta energy: -242.286
Dist. restrs. and SS energy: 15.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2578.874473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.874473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.114402 (E_RNA)
where:
Base-Base interactions energy: -1834.884
where: short stacking energy: -780.852
Base-Backbone interact. energy: -1.800
local terms energy: -756.430764
where:
bonds (distance) C4'-P energy: -119.248
bonds (distance) P-C4' energy: -132.313
flat angles C4'-P-C4' energy: -160.328
flat angles P-C4'-P energy: -104.977
tors. eta vs tors. theta energy: -239.565
Dist. restrs. and SS energy: 14.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2495.082922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.082922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.732198 (E_RNA)
where:
Base-Base interactions energy: -1755.519
where: short stacking energy: -735.238
Base-Backbone interact. energy: 1.819
local terms energy: -752.031788
where:
bonds (distance) C4'-P energy: -119.007
bonds (distance) P-C4' energy: -131.804
flat angles C4'-P-C4' energy: -155.545
flat angles P-C4'-P energy: -114.261
tors. eta vs tors. theta energy: -231.415
Dist. restrs. and SS energy: 10.649 (S_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: 118
Temperature: 1.100000
Total energy: -2481.296324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.296324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.688992 (E_RNA)
where:
Base-Base interactions energy: -1759.814
where: short stacking energy: -742.802
Base-Backbone interact. energy: -3.440
local terms energy: -732.434624
where:
bonds (distance) C4'-P energy: -132.649
bonds (distance) P-C4' energy: -120.924
flat angles C4'-P-C4' energy: -143.117
flat angles P-C4'-P energy: -105.183
tors. eta vs tors. theta energy: -230.561
Dist. restrs. and SS energy: 14.393 (S_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: 118
Temperature: 1.150000
Total energy: -2347.645029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.645029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.036203 (E_RNA)
where:
Base-Base interactions energy: -1672.795
where: short stacking energy: -674.580
Base-Backbone interact. energy: 0.737
local terms energy: -685.977525
where:
bonds (distance) C4'-P energy: -132.152
bonds (distance) P-C4' energy: -104.485
flat angles C4'-P-C4' energy: -151.569
flat angles P-C4'-P energy: -84.915
tors. eta vs tors. theta energy: -212.856
Dist. restrs. and SS energy: 10.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2284.066236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.066236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.445714 (E_RNA)
where:
Base-Base interactions energy: -1622.685
where: short stacking energy: -660.142
Base-Backbone interact. energy: 2.990
local terms energy: -684.751442
where:
bonds (distance) C4'-P energy: -126.510
bonds (distance) P-C4' energy: -116.740
flat angles C4'-P-C4' energy: -139.720
flat angles P-C4'-P energy: -98.828
tors. eta vs tors. theta energy: -202.953
Dist. restrs. and SS energy: 20.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -2127.648774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.648774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.800223 (E_RNA)
where:
Base-Base interactions energy: -1505.751
where: short stacking energy: -614.414
Base-Backbone interact. energy: -2.604
local terms energy: -641.445873
where:
bonds (distance) C4'-P energy: -111.231
bonds (distance) P-C4' energy: -121.170
flat angles C4'-P-C4' energy: -134.292
flat angles P-C4'-P energy: -91.943
tors. eta vs tors. theta energy: -182.810
Dist. restrs. and SS energy: 22.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -2130.413475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.413475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.960104 (E_RNA)
where:
Base-Base interactions energy: -1573.220
where: short stacking energy: -617.230
Base-Backbone interact. energy: -2.945
local terms energy: -572.794563
where:
bonds (distance) C4'-P energy: -100.134
bonds (distance) P-C4' energy: -96.200
flat angles C4'-P-C4' energy: -126.360
flat angles P-C4'-P energy: -71.080
tors. eta vs tors. theta energy: -179.021
Dist. restrs. and SS energy: 18.547 (S_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: 118
Temperature: 1.350000
Total energy: -1888.973031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.973031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.587551 (E_RNA)
where:
Base-Base interactions energy: -1334.673
where: short stacking energy: -520.446
Base-Backbone interact. energy: 0.257
local terms energy: -586.171375
where:
bonds (distance) C4'-P energy: -109.559
bonds (distance) P-C4' energy: -112.685
flat angles C4'-P-C4' energy: -128.307
flat angles P-C4'-P energy: -86.221
tors. eta vs tors. theta energy: -149.399
Dist. restrs. and SS energy: 31.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2758.921184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.921184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.929380 (E_RNA)
where:
Base-Base interactions energy: -1952.611
where: short stacking energy: -805.315
Base-Backbone interact. energy: -1.720
local terms energy: -809.598093
where:
bonds (distance) C4'-P energy: -146.861
bonds (distance) P-C4' energy: -131.910
flat angles C4'-P-C4' energy: -163.014
flat angles P-C4'-P energy: -126.234
tors. eta vs tors. theta energy: -241.579
Dist. restrs. and SS energy: 5.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2679.068903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.068903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.346447 (E_RNA)
where:
Base-Base interactions energy: -1907.905
where: short stacking energy: -791.480
Base-Backbone interact. energy: -1.701
local terms energy: -779.740607
where:
bonds (distance) C4'-P energy: -129.158
bonds (distance) P-C4' energy: -135.270
flat angles C4'-P-C4' energy: -158.578
flat angles P-C4'-P energy: -114.682
tors. eta vs tors. theta energy: -242.053
Dist. restrs. and SS energy: 10.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2577.444024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.444024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.263197 (E_RNA)
where:
Base-Base interactions energy: -1830.899
where: short stacking energy: -771.145
Base-Backbone interact. energy: -1.639
local terms energy: -757.725371
where:
bonds (distance) C4'-P energy: -118.688
bonds (distance) P-C4' energy: -138.762
flat angles C4'-P-C4' energy: -160.507
flat angles P-C4'-P energy: -98.955
tors. eta vs tors. theta energy: -240.813
Dist. restrs. and SS energy: 12.819 (S_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: 119
Temperature: 1.050000
Total energy: -2504.063962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.063962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.046982 (E_RNA)
where:
Base-Base interactions energy: -1780.595
where: short stacking energy: -734.137
Base-Backbone interact. energy: -2.305
local terms energy: -730.146640
where:
bonds (distance) C4'-P energy: -111.079
bonds (distance) P-C4' energy: -125.687
flat angles C4'-P-C4' energy: -158.513
flat angles P-C4'-P energy: -107.426
tors. eta vs tors. theta energy: -227.442
Dist. restrs. and SS energy: 8.983 (S_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: 119
Temperature: 1.100000
Total energy: -2557.583418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.583418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.365898 (E_RNA)
where:
Base-Base interactions energy: -1817.959
where: short stacking energy: -769.122
Base-Backbone interact. energy: -1.239
local terms energy: -751.168677
where:
bonds (distance) C4'-P energy: -125.997
bonds (distance) P-C4' energy: -140.793
flat angles C4'-P-C4' energy: -150.519
flat angles P-C4'-P energy: -99.713
tors. eta vs tors. theta energy: -234.148
Dist. restrs. and SS energy: 12.782 (S_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: 119
Temperature: 1.150000
Total energy: -2339.886791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.561049 (E_RNA)
where:
Base-Base interactions energy: -1632.011
where: short stacking energy: -660.694
Base-Backbone interact. energy: -4.335
local terms energy: -720.214251
where:
bonds (distance) C4'-P energy: -119.989
bonds (distance) P-C4' energy: -133.103
flat angles C4'-P-C4' energy: -151.556
flat angles P-C4'-P energy: -106.678
tors. eta vs tors. theta energy: -208.888
Dist. restrs. and SS energy: 16.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2289.451505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.451505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.177365 (E_RNA)
where:
Base-Base interactions energy: -1629.549
where: short stacking energy: -647.110
Base-Backbone interact. energy: 2.515
local terms energy: -675.143761
where:
bonds (distance) C4'-P energy: -126.057
bonds (distance) P-C4' energy: -116.764
flat angles C4'-P-C4' energy: -137.415
flat angles P-C4'-P energy: -92.809
tors. eta vs tors. theta energy: -202.099
Dist. restrs. and SS energy: 12.726 (S_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: 119
Temperature: 1.250000
Total energy: -2166.115137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.115137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.299858 (E_RNA)
where:
Base-Base interactions energy: -1548.340
where: short stacking energy: -635.156
Base-Backbone interact. energy: -2.533
local terms energy: -635.427361
where:
bonds (distance) C4'-P energy: -117.764
bonds (distance) P-C4' energy: -119.040
flat angles C4'-P-C4' energy: -127.443
flat angles P-C4'-P energy: -72.381
tors. eta vs tors. theta energy: -198.799
Dist. restrs. and SS energy: 20.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -2050.671471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.671471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.107995 (E_RNA)
where:
Base-Base interactions energy: -1471.504
where: short stacking energy: -587.270
Base-Backbone interact. energy: -1.503
local terms energy: -598.100665
where:
bonds (distance) C4'-P energy: -113.036
bonds (distance) P-C4' energy: -135.055
flat angles C4'-P-C4' energy: -115.914
flat angles P-C4'-P energy: -72.770
tors. eta vs tors. theta energy: -161.326
Dist. restrs. and SS energy: 20.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1878.361715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.361715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.938165 (E_RNA)
where:
Base-Base interactions energy: -1317.987
where: short stacking energy: -522.542
Base-Backbone interact. energy: -3.255
local terms energy: -590.696586
where:
bonds (distance) C4'-P energy: -105.463
bonds (distance) P-C4' energy: -116.879
flat angles C4'-P-C4' energy: -134.309
flat angles P-C4'-P energy: -80.819
tors. eta vs tors. theta energy: -153.227
Dist. restrs. and SS energy: 33.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2719.437399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.437399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.145528 (E_RNA)
where:
Base-Base interactions energy: -1927.475
where: short stacking energy: -802.085
Base-Backbone interact. energy: -2.801
local terms energy: -792.869511
where:
bonds (distance) C4'-P energy: -132.422
bonds (distance) P-C4' energy: -133.660
flat angles C4'-P-C4' energy: -166.214
flat angles P-C4'-P energy: -115.835
tors. eta vs tors. theta energy: -244.738
Dist. restrs. and SS energy: 3.708 (S_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: 120
Temperature: 0.950000
Total energy: -2676.396145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.396145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.774331 (E_RNA)
where:
Base-Base interactions energy: -1893.297
where: short stacking energy: -771.853
Base-Backbone interact. energy: -2.062
local terms energy: -793.415128
where:
bonds (distance) C4'-P energy: -147.001
bonds (distance) P-C4' energy: -140.816
flat angles C4'-P-C4' energy: -162.142
flat angles P-C4'-P energy: -102.750
tors. eta vs tors. theta energy: -240.707
Dist. restrs. and SS energy: 12.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2593.043604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.043604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.913930 (E_RNA)
where:
Base-Base interactions energy: -1845.996
where: short stacking energy: -790.886
Base-Backbone interact. energy: -0.172
local terms energy: -758.746102
where:
bonds (distance) C4'-P energy: -120.359
bonds (distance) P-C4' energy: -131.104
flat angles C4'-P-C4' energy: -154.096
flat angles P-C4'-P energy: -110.119
tors. eta vs tors. theta energy: -243.068
Dist. restrs. and SS energy: 11.870 (S_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: 120
Temperature: 1.050000
Total energy: -2525.716252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.716252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.190251 (E_RNA)
where:
Base-Base interactions energy: -1791.904
where: short stacking energy: -719.576
Base-Backbone interact. energy: 0.984
local terms energy: -741.270729
where:
bonds (distance) C4'-P energy: -131.175
bonds (distance) P-C4' energy: -119.586
flat angles C4'-P-C4' energy: -154.246
flat angles P-C4'-P energy: -106.242
tors. eta vs tors. theta energy: -230.022
Dist. restrs. and SS energy: 6.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2494.962361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.962361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.555431 (E_RNA)
where:
Base-Base interactions energy: -1761.588
where: short stacking energy: -710.321
Base-Backbone interact. energy: -0.959
local terms energy: -745.009106
where:
bonds (distance) C4'-P energy: -126.871
bonds (distance) P-C4' energy: -127.574
flat angles C4'-P-C4' energy: -157.468
flat angles P-C4'-P energy: -107.734
tors. eta vs tors. theta energy: -225.361
Dist. restrs. and SS energy: 12.593 (S_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: 120
Temperature: 1.150000
Total energy: -2357.624893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.624893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.566393 (E_RNA)
where:
Base-Base interactions energy: -1672.692
where: short stacking energy: -659.009
Base-Backbone interact. energy: -4.298
local terms energy: -688.576586
where:
bonds (distance) C4'-P energy: -113.615
bonds (distance) P-C4' energy: -114.829
flat angles C4'-P-C4' energy: -154.611
flat angles P-C4'-P energy: -96.236
tors. eta vs tors. theta energy: -209.285
Dist. restrs. and SS energy: 7.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2286.302417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.302417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.465426 (E_RNA)
where:
Base-Base interactions energy: -1617.499
where: short stacking energy: -629.832
Base-Backbone interact. energy: -3.133
local terms energy: -681.832971
where:
bonds (distance) C4'-P energy: -111.606
bonds (distance) P-C4' energy: -142.161
flat angles C4'-P-C4' energy: -130.812
flat angles P-C4'-P energy: -102.231
tors. eta vs tors. theta energy: -195.024
Dist. restrs. and SS energy: 16.163 (S_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: 120
Temperature: 1.250000
Total energy: -2160.419131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.419131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.730388 (E_RNA)
where:
Base-Base interactions energy: -1570.933
where: short stacking energy: -663.088
Base-Backbone interact. energy: 0.375
local terms energy: -613.172471
where:
bonds (distance) C4'-P energy: -118.277
bonds (distance) P-C4' energy: -88.722
flat angles C4'-P-C4' energy: -128.596
flat angles P-C4'-P energy: -81.170
tors. eta vs tors. theta energy: -196.407
Dist. restrs. and SS energy: 23.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -2046.482177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.482177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.687013 (E_RNA)
where:
Base-Base interactions energy: -1451.889
where: short stacking energy: -606.098
Base-Backbone interact. energy: -1.196
local terms energy: -613.601991
where:
bonds (distance) C4'-P energy: -108.483
bonds (distance) P-C4' energy: -118.294
flat angles C4'-P-C4' energy: -129.917
flat angles P-C4'-P energy: -78.963
tors. eta vs tors. theta energy: -177.945
Dist. restrs. and SS energy: 20.205 (S_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: 120
Temperature: 1.350000
Total energy: -1863.242421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.242421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.422410 (E_RNA)
where:
Base-Base interactions energy: -1319.345
where: short stacking energy: -524.159
Base-Backbone interact. energy: 3.364
local terms energy: -579.442250
where:
bonds (distance) C4'-P energy: -112.737
bonds (distance) P-C4' energy: -121.944
flat angles C4'-P-C4' energy: -99.646
flat angles P-C4'-P energy: -76.406
tors. eta vs tors. theta energy: -168.708
Dist. restrs. and SS energy: 32.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2709.572326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.572326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.406813 (E_RNA)
where:
Base-Base interactions energy: -1912.669
where: short stacking energy: -793.654
Base-Backbone interact. energy: -2.238
local terms energy: -798.500545
where:
bonds (distance) C4'-P energy: -130.345
bonds (distance) P-C4' energy: -129.294
flat angles C4'-P-C4' energy: -168.897
flat angles P-C4'-P energy: -121.715
tors. eta vs tors. theta energy: -248.251
Dist. restrs. and SS energy: 3.834 (S_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: 121
Temperature: 0.950000
Total energy: -2669.702169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.702169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.530206 (E_RNA)
where:
Base-Base interactions energy: -1896.966
where: short stacking energy: -773.099
Base-Backbone interact. energy: 1.653
local terms energy: -782.216751
where:
bonds (distance) C4'-P energy: -144.780
bonds (distance) P-C4' energy: -140.205
flat angles C4'-P-C4' energy: -155.040
flat angles P-C4'-P energy: -102.729
tors. eta vs tors. theta energy: -239.463
Dist. restrs. and SS energy: 7.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2629.077690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.077690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.654249 (E_RNA)
where:
Base-Base interactions energy: -1837.788
where: short stacking energy: -749.388
Base-Backbone interact. energy: -4.271
local terms energy: -799.595201
where:
bonds (distance) C4'-P energy: -149.237
bonds (distance) P-C4' energy: -133.007
flat angles C4'-P-C4' energy: -160.746
flat angles P-C4'-P energy: -117.702
tors. eta vs tors. theta energy: -238.902
Dist. restrs. and SS energy: 12.577 (S_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: 121
Temperature: 1.050000
Total energy: -2528.840491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.840491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.860560 (E_RNA)
where:
Base-Base interactions energy: -1770.272
where: short stacking energy: -747.290
Base-Backbone interact. energy: -2.248
local terms energy: -766.340065
where:
bonds (distance) C4'-P energy: -140.817
bonds (distance) P-C4' energy: -112.148
flat angles C4'-P-C4' energy: -164.674
flat angles P-C4'-P energy: -118.353
tors. eta vs tors. theta energy: -230.348
Dist. restrs. and SS energy: 10.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2483.025010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.025010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.759592 (E_RNA)
where:
Base-Base interactions energy: -1764.184
where: short stacking energy: -710.082
Base-Backbone interact. energy: 1.662
local terms energy: -732.237450
where:
bonds (distance) C4'-P energy: -140.968
bonds (distance) P-C4' energy: -122.499
flat angles C4'-P-C4' energy: -151.810
flat angles P-C4'-P energy: -98.142
tors. eta vs tors. theta energy: -218.819
Dist. restrs. and SS energy: 11.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2357.915111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.915111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.662572 (E_RNA)
where:
Base-Base interactions energy: -1664.831
where: short stacking energy: -665.997
Base-Backbone interact. energy: -1.518
local terms energy: -710.312741
where:
bonds (distance) C4'-P energy: -129.539
bonds (distance) P-C4' energy: -126.900
flat angles C4'-P-C4' energy: -146.218
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -215.673
Dist. restrs. and SS energy: 18.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2290.774781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.774781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.708749 (E_RNA)
where:
Base-Base interactions energy: -1593.104
where: short stacking energy: -664.268
Base-Backbone interact. energy: -3.840
local terms energy: -712.764745
where:
bonds (distance) C4'-P energy: -115.253
bonds (distance) P-C4' energy: -119.458
flat angles C4'-P-C4' energy: -164.239
flat angles P-C4'-P energy: -109.130
tors. eta vs tors. theta energy: -204.684
Dist. restrs. and SS energy: 18.934 (S_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: 121
Temperature: 1.250000
Total energy: -2184.617865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.617865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.619990 (E_RNA)
where:
Base-Base interactions energy: -1581.980
where: short stacking energy: -657.581
Base-Backbone interact. energy: 0.899
local terms energy: -621.538317
where:
bonds (distance) C4'-P energy: -101.213
bonds (distance) P-C4' energy: -104.936
flat angles C4'-P-C4' energy: -126.265
flat angles P-C4'-P energy: -93.456
tors. eta vs tors. theta energy: -195.669
Dist. restrs. and SS energy: 18.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -2077.942887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.942887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.493318 (E_RNA)
where:
Base-Base interactions energy: -1459.180
where: short stacking energy: -600.008
Base-Backbone interact. energy: 2.200
local terms energy: -643.513462
where:
bonds (distance) C4'-P energy: -117.829
bonds (distance) P-C4' energy: -103.893
flat angles C4'-P-C4' energy: -140.892
flat angles P-C4'-P energy: -102.031
tors. eta vs tors. theta energy: -178.868
Dist. restrs. and SS energy: 22.550 (S_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: 121
Temperature: 1.350000
Total energy: -1892.006218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.006218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.975391 (E_RNA)
where:
Base-Base interactions energy: -1340.180
where: short stacking energy: -531.546
Base-Backbone interact. energy: -2.311
local terms energy: -571.484236
where:
bonds (distance) C4'-P energy: -99.412
bonds (distance) P-C4' energy: -126.237
flat angles C4'-P-C4' energy: -121.227
flat angles P-C4'-P energy: -75.921
tors. eta vs tors. theta energy: -148.687
Dist. restrs. and SS energy: 21.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2747.224011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.224011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.946788 (E_RNA)
where:
Base-Base interactions energy: -1920.553
where: short stacking energy: -793.214
Base-Backbone interact. energy: -1.825
local terms energy: -827.568812
where:
bonds (distance) C4'-P energy: -146.274
bonds (distance) P-C4' energy: -147.080
flat angles C4'-P-C4' energy: -168.744
flat angles P-C4'-P energy: -115.067
tors. eta vs tors. theta energy: -250.405
Dist. restrs. and SS energy: 2.723 (S_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: 122
Temperature: 0.950000
Total energy: -2682.316759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.316759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.592622 (E_RNA)
where:
Base-Base interactions energy: -1893.660
where: short stacking energy: -776.381
Base-Backbone interact. energy: -1.448
local terms energy: -802.484072
where:
bonds (distance) C4'-P energy: -144.292
bonds (distance) P-C4' energy: -139.660
flat angles C4'-P-C4' energy: -163.217
flat angles P-C4'-P energy: -118.816
tors. eta vs tors. theta energy: -236.499
Dist. restrs. and SS energy: 15.276 (S_DIST_RNA)
chem. 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: -2585.459399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.459399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.412654 (E_RNA)
where:
Base-Base interactions energy: -1833.000
where: short stacking energy: -756.643
Base-Backbone interact. energy: -3.406
local terms energy: -762.007373
where:
bonds (distance) C4'-P energy: -115.655
bonds (distance) P-C4' energy: -147.090
flat angles C4'-P-C4' energy: -162.498
flat angles P-C4'-P energy: -97.756
tors. eta vs tors. theta energy: -239.009
Dist. restrs. and SS energy: 12.953 (S_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: 122
Temperature: 1.050000
Total energy: -2523.229282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.229282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.429426 (E_RNA)
where:
Base-Base interactions energy: -1780.377
where: short stacking energy: -725.505
Base-Backbone interact. energy: -1.150
local terms energy: -750.902689
where:
bonds (distance) C4'-P energy: -121.891
bonds (distance) P-C4' energy: -131.547
flat angles C4'-P-C4' energy: -156.659
flat angles P-C4'-P energy: -110.980
tors. eta vs tors. theta energy: -229.826
Dist. restrs. and SS energy: 9.200 (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: 122
Temperature: 1.100000
Total energy: -2458.535887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.535887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.014517 (E_RNA)
where:
Base-Base interactions energy: -1767.764
where: short stacking energy: -729.937
Base-Backbone interact. energy: -2.208
local terms energy: -696.042544
where:
bonds (distance) C4'-P energy: -120.084
bonds (distance) P-C4' energy: -128.802
flat angles C4'-P-C4' energy: -145.724
flat angles P-C4'-P energy: -81.271
tors. eta vs tors. theta energy: -220.161
Dist. restrs. and SS energy: 7.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2342.450981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.450981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.713631 (E_RNA)
where:
Base-Base interactions energy: -1666.397
where: short stacking energy: -681.105
Base-Backbone interact. energy: -3.303
local terms energy: -682.013448
where:
bonds (distance) C4'-P energy: -121.072
bonds (distance) P-C4' energy: -120.707
flat angles C4'-P-C4' energy: -141.505
flat angles P-C4'-P energy: -92.150
tors. eta vs tors. theta energy: -206.579
Dist. restrs. and SS energy: 9.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2328.944327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.944327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.296078 (E_RNA)
where:
Base-Base interactions energy: -1661.150
where: short stacking energy: -674.331
Base-Backbone interact. energy: -3.676
local terms energy: -678.469176
where:
bonds (distance) C4'-P energy: -127.969
bonds (distance) P-C4' energy: -104.656
flat angles C4'-P-C4' energy: -148.967
flat angles P-C4'-P energy: -92.630
tors. eta vs tors. theta energy: -204.247
Dist. restrs. and SS energy: 14.352 (S_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: 122
Temperature: 1.250000
Total energy: -2147.650734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.650734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.921738 (E_RNA)
where:
Base-Base interactions energy: -1547.487
where: short stacking energy: -606.392
Base-Backbone interact. energy: 1.664
local terms energy: -621.098020
where:
bonds (distance) C4'-P energy: -115.546
bonds (distance) P-C4' energy: -112.109
flat angles C4'-P-C4' energy: -129.612
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -180.171
Dist. restrs. and SS energy: 19.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -2039.551619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.551619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.010748 (E_RNA)
where:
Base-Base interactions energy: -1470.081
where: short stacking energy: -585.210
Base-Backbone interact. energy: 2.964
local terms energy: -590.893765
where:
bonds (distance) C4'-P energy: -111.271
bonds (distance) P-C4' energy: -108.545
flat angles C4'-P-C4' energy: -128.769
flat angles P-C4'-P energy: -69.826
tors. eta vs tors. theta energy: -172.483
Dist. restrs. and SS energy: 18.459 (S_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: 122
Temperature: 1.350000
Total energy: -1924.941902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.941902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.359041 (E_RNA)
where:
Base-Base interactions energy: -1373.193
where: short stacking energy: -543.809
Base-Backbone interact. energy: -2.188
local terms energy: -570.977553
where:
bonds (distance) C4'-P energy: -92.268
bonds (distance) P-C4' energy: -95.142
flat angles C4'-P-C4' energy: -125.432
flat angles P-C4'-P energy: -82.181
tors. eta vs tors. theta energy: -175.955
Dist. restrs. and SS energy: 21.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2745.657288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.657288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.627618 (E_RNA)
where:
Base-Base interactions energy: -1941.489
where: short stacking energy: -805.438
Base-Backbone interact. energy: -2.788
local terms energy: -806.349822
where:
bonds (distance) C4'-P energy: -129.568
bonds (distance) P-C4' energy: -139.176
flat angles C4'-P-C4' energy: -162.398
flat angles P-C4'-P energy: -122.416
tors. eta vs tors. theta energy: -252.791
Dist. restrs. and SS energy: 4.970 (S_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: 123
Temperature: 0.950000
Total energy: -2697.611568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.611568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.179801 (E_RNA)
where:
Base-Base interactions energy: -1913.314
where: short stacking energy: -790.807
Base-Backbone interact. energy: -0.735
local terms energy: -799.130535
where:
bonds (distance) C4'-P energy: -150.770
bonds (distance) P-C4' energy: -119.430
flat angles C4'-P-C4' energy: -170.839
flat angles P-C4'-P energy: -116.184
tors. eta vs tors. theta energy: -241.908
Dist. restrs. and SS energy: 15.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2593.862998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.862998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.071124 (E_RNA)
where:
Base-Base interactions energy: -1833.947
where: short stacking energy: -761.796
Base-Backbone interact. energy: -2.297
local terms energy: -768.827053
where:
bonds (distance) C4'-P energy: -127.613
bonds (distance) P-C4' energy: -146.595
flat angles C4'-P-C4' energy: -144.396
flat angles P-C4'-P energy: -112.260
tors. eta vs tors. theta energy: -237.963
Dist. restrs. and SS energy: 11.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2519.159459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.159459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.902981 (E_RNA)
where:
Base-Base interactions energy: -1787.670
where: short stacking energy: -738.409
Base-Backbone interact. energy: -3.173
local terms energy: -735.059580
where:
bonds (distance) C4'-P energy: -122.404
bonds (distance) P-C4' energy: -112.918
flat angles C4'-P-C4' energy: -164.451
flat angles P-C4'-P energy: -98.769
tors. eta vs tors. theta energy: -236.517
Dist. restrs. and SS energy: 6.744 (S_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: 123
Temperature: 1.100000
Total energy: -2462.708682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.708682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.740103 (E_RNA)
where:
Base-Base interactions energy: -1745.036
where: short stacking energy: -692.379
Base-Backbone interact. energy: 4.173
local terms energy: -732.876966
where:
bonds (distance) C4'-P energy: -115.776
bonds (distance) P-C4' energy: -140.777
flat angles C4'-P-C4' energy: -148.514
flat angles P-C4'-P energy: -103.225
tors. eta vs tors. theta energy: -224.586
Dist. restrs. and SS energy: 11.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2382.668826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.668826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.879286 (E_RNA)
where:
Base-Base interactions energy: -1705.237
where: short stacking energy: -693.188
Base-Backbone interact. energy: -5.090
local terms energy: -681.552358
where:
bonds (distance) C4'-P energy: -128.553
bonds (distance) P-C4' energy: -113.765
flat angles C4'-P-C4' energy: -143.411
flat angles P-C4'-P energy: -95.134
tors. eta vs tors. theta energy: -200.690
Dist. restrs. and SS energy: 9.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2316.723202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.723202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.682678 (E_RNA)
where:
Base-Base interactions energy: -1662.970
where: short stacking energy: -681.359
Base-Backbone interact. energy: -2.921
local terms energy: -669.791877
where:
bonds (distance) C4'-P energy: -101.029
bonds (distance) P-C4' energy: -124.237
flat angles C4'-P-C4' energy: -143.315
flat angles P-C4'-P energy: -89.152
tors. eta vs tors. theta energy: -212.060
Dist. restrs. and SS energy: 18.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2182.620268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.620268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.910379 (E_RNA)
where:
Base-Base interactions energy: -1577.567
where: short stacking energy: -636.544
Base-Backbone interact. energy: -3.538
local terms energy: -616.804747
where:
bonds (distance) C4'-P energy: -120.617
bonds (distance) P-C4' energy: -101.870
flat angles C4'-P-C4' energy: -136.534
flat angles P-C4'-P energy: -78.885
tors. eta vs tors. theta energy: -178.898
Dist. restrs. and SS energy: 15.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -2126.120456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.120456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.070848 (E_RNA)
where:
Base-Base interactions energy: -1524.692
where: short stacking energy: -600.645
Base-Backbone interact. energy: -3.487
local terms energy: -615.892464
where:
bonds (distance) C4'-P energy: -122.402
bonds (distance) P-C4' energy: -108.253
flat angles C4'-P-C4' energy: -129.572
flat angles P-C4'-P energy: -75.928
tors. eta vs tors. theta energy: -179.737
Dist. restrs. and SS energy: 17.950 (S_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: 123
Temperature: 1.350000
Total energy: -1930.228437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.228437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.416846 (E_RNA)
where:
Base-Base interactions energy: -1337.849
where: short stacking energy: -524.824
Base-Backbone interact. energy: 4.359
local terms energy: -618.926793
where:
bonds (distance) C4'-P energy: -99.777
bonds (distance) P-C4' energy: -116.633
flat angles C4'-P-C4' energy: -139.941
flat angles P-C4'-P energy: -98.832
tors. eta vs tors. theta energy: -163.743
Dist. restrs. and SS energy: 22.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2726.944616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.944616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.551414 (E_RNA)
where:
Base-Base interactions energy: -1920.021
where: short stacking energy: -810.013
Base-Backbone interact. energy: 2.081
local terms energy: -814.612052
where:
bonds (distance) C4'-P energy: -132.615
bonds (distance) P-C4' energy: -136.375
flat angles C4'-P-C4' energy: -168.447
flat angles P-C4'-P energy: -125.352
tors. eta vs tors. theta energy: -251.824
Dist. restrs. and SS energy: 5.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2677.696785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.696785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.572194 (E_RNA)
where:
Base-Base interactions energy: -1882.031
where: short stacking energy: -776.251
Base-Backbone interact. energy: -1.560
local terms energy: -804.981916
where:
bonds (distance) C4'-P energy: -133.157
bonds (distance) P-C4' energy: -151.322
flat angles C4'-P-C4' energy: -170.556
flat angles P-C4'-P energy: -117.422
tors. eta vs tors. theta energy: -232.525
Dist. restrs. and SS energy: 10.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2603.133142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.133142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.103133 (E_RNA)
where:
Base-Base interactions energy: -1844.455
where: short stacking energy: -770.298
Base-Backbone interact. energy: -2.893
local terms energy: -769.754947
where:
bonds (distance) C4'-P energy: -117.513
bonds (distance) P-C4' energy: -144.309
flat angles C4'-P-C4' energy: -158.630
flat angles P-C4'-P energy: -111.723
tors. eta vs tors. theta energy: -237.580
Dist. restrs. and SS energy: 13.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2542.472115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.472115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.010755 (E_RNA)
where:
Base-Base interactions energy: -1815.285
where: short stacking energy: -739.694
Base-Backbone interact. energy: -0.857
local terms energy: -732.868623
where:
bonds (distance) C4'-P energy: -125.621
bonds (distance) P-C4' energy: -123.254
flat angles C4'-P-C4' energy: -148.890
flat angles P-C4'-P energy: -100.139
tors. eta vs tors. theta energy: -234.964
Dist. restrs. and SS energy: 6.539 (S_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: 124
Temperature: 1.100000
Total energy: -2478.733462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.733462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.538233 (E_RNA)
where:
Base-Base interactions energy: -1753.126
where: short stacking energy: -699.244
Base-Backbone interact. energy: -2.586
local terms energy: -733.826494
where:
bonds (distance) C4'-P energy: -138.359
bonds (distance) P-C4' energy: -134.158
flat angles C4'-P-C4' energy: -150.524
flat angles P-C4'-P energy: -93.073
tors. eta vs tors. theta energy: -217.713
Dist. restrs. and SS energy: 10.805 (S_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: 124
Temperature: 1.150000
Total energy: -2355.673981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.673981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.038962 (E_RNA)
where:
Base-Base interactions energy: -1681.166
where: short stacking energy: -671.395
Base-Backbone interact. energy: 3.248
local terms energy: -686.120532
where:
bonds (distance) C4'-P energy: -125.099
bonds (distance) P-C4' energy: -119.240
flat angles C4'-P-C4' energy: -148.245
flat angles P-C4'-P energy: -83.745
tors. eta vs tors. theta energy: -209.791
Dist. restrs. and SS energy: 8.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2335.972703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.972703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.687256 (E_RNA)
where:
Base-Base interactions energy: -1634.594
where: short stacking energy: -662.425
Base-Backbone interact. energy: -0.288
local terms energy: -715.805214
where:
bonds (distance) C4'-P energy: -121.399
bonds (distance) P-C4' energy: -128.387
flat angles C4'-P-C4' energy: -159.063
flat angles P-C4'-P energy: -99.027
tors. eta vs tors. theta energy: -207.929
Dist. restrs. and SS energy: 14.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -2143.875794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.875794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.087751 (E_RNA)
where:
Base-Base interactions energy: -1524.279
where: short stacking energy: -640.141
Base-Backbone interact. energy: -0.966
local terms energy: -637.843069
where:
bonds (distance) C4'-P energy: -107.320
bonds (distance) P-C4' energy: -112.479
flat angles C4'-P-C4' energy: -141.165
flat angles P-C4'-P energy: -77.690
tors. eta vs tors. theta energy: -199.190
Dist. restrs. and SS energy: 19.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -2047.153714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.153714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.121824 (E_RNA)
where:
Base-Base interactions energy: -1455.831
where: short stacking energy: -569.672
Base-Backbone interact. energy: -0.196
local terms energy: -609.094783
where:
bonds (distance) C4'-P energy: -100.847
bonds (distance) P-C4' energy: -110.469
flat angles C4'-P-C4' energy: -141.989
flat angles P-C4'-P energy: -73.148
tors. eta vs tors. theta energy: -182.642
Dist. restrs. and SS energy: 17.968 (S_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: 124
Temperature: 1.350000
Total energy: -1916.406721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.406721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.570004 (E_RNA)
where:
Base-Base interactions energy: -1356.658
where: short stacking energy: -532.320
Base-Backbone interact. energy: 1.949
local terms energy: -582.860367
where:
bonds (distance) C4'-P energy: -114.171
bonds (distance) P-C4' energy: -103.682
flat angles C4'-P-C4' energy: -123.849
flat angles P-C4'-P energy: -83.739
tors. eta vs tors. theta energy: -157.420
Dist. restrs. and SS energy: 21.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2733.935592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.935592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.546345 (E_RNA)
where:
Base-Base interactions energy: -1913.798
where: short stacking energy: -779.670
Base-Backbone interact. energy: -3.773
local terms energy: -823.975201
where:
bonds (distance) C4'-P energy: -154.562
bonds (distance) P-C4' energy: -142.502
flat angles C4'-P-C4' energy: -160.643
flat angles P-C4'-P energy: -118.902
tors. eta vs tors. theta energy: -247.367
Dist. restrs. and SS energy: 7.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2653.815378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.815378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.216605 (E_RNA)
where:
Base-Base interactions energy: -1877.642
where: short stacking energy: -765.332
Base-Backbone interact. energy: -1.427
local terms energy: -786.147826
where:
bonds (distance) C4'-P energy: -145.801
bonds (distance) P-C4' energy: -143.697
flat angles C4'-P-C4' energy: -162.211
flat angles P-C4'-P energy: -98.099
tors. eta vs tors. theta energy: -236.339
Dist. restrs. and SS energy: 11.401 (S_DIST_RNA)
chem. 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: -2582.939668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.939668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.847127 (E_RNA)
where:
Base-Base interactions energy: -1801.997
where: short stacking energy: -754.793
Base-Backbone interact. energy: -3.193
local terms energy: -790.657240
where:
bonds (distance) C4'-P energy: -145.170
bonds (distance) P-C4' energy: -138.816
flat angles C4'-P-C4' energy: -152.209
flat angles P-C4'-P energy: -115.970
tors. eta vs tors. theta energy: -238.491
Dist. restrs. and SS energy: 12.907 (S_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: 125
Temperature: 1.050000
Total energy: -2575.970636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.970636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.956012 (E_RNA)
where:
Base-Base interactions energy: -1809.801
where: short stacking energy: -768.603
Base-Backbone interact. energy: -0.137
local terms energy: -779.017567
where:
bonds (distance) C4'-P energy: -137.402
bonds (distance) P-C4' energy: -132.779
flat angles C4'-P-C4' energy: -166.622
flat angles P-C4'-P energy: -99.583
tors. eta vs tors. theta energy: -242.632
Dist. restrs. and SS energy: 12.985 (S_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: 125
Temperature: 1.100000
Total energy: -2498.948320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.948320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.030046 (E_RNA)
where:
Base-Base interactions energy: -1755.708
where: short stacking energy: -712.656
Base-Backbone interact. energy: -1.806
local terms energy: -753.515964
where:
bonds (distance) C4'-P energy: -123.184
bonds (distance) P-C4' energy: -143.535
flat angles C4'-P-C4' energy: -161.318
flat angles P-C4'-P energy: -100.885
tors. eta vs tors. theta energy: -224.594
Dist. restrs. and SS energy: 12.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2385.709698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.709698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.570079 (E_RNA)
where:
Base-Base interactions energy: -1700.167
where: short stacking energy: -680.475
Base-Backbone interact. energy: -3.462
local terms energy: -694.941265
where:
bonds (distance) C4'-P energy: -124.514
bonds (distance) P-C4' energy: -122.864
flat angles C4'-P-C4' energy: -146.564
flat angles P-C4'-P energy: -80.675
tors. eta vs tors. theta energy: -220.324
Dist. restrs. and SS energy: 12.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2326.058239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.058239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.686420 (E_RNA)
where:
Base-Base interactions energy: -1657.567
where: short stacking energy: -667.145
Base-Backbone interact. energy: -2.404
local terms energy: -675.715448
where:
bonds (distance) C4'-P energy: -133.276
bonds (distance) P-C4' energy: -119.790
flat angles C4'-P-C4' energy: -133.454
flat angles P-C4'-P energy: -83.002
tors. eta vs tors. theta energy: -206.193
Dist. restrs. and SS energy: 9.628 (S_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: 125
Temperature: 1.250000
Total energy: -2176.477326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.477326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.283740 (E_RNA)
where:
Base-Base interactions energy: -1577.013
where: short stacking energy: -643.048
Base-Backbone interact. energy: -1.556
local terms energy: -616.715448
where:
bonds (distance) C4'-P energy: -111.852
bonds (distance) P-C4' energy: -93.531
flat angles C4'-P-C4' energy: -140.919
flat angles P-C4'-P energy: -80.947
tors. eta vs tors. theta energy: -189.467
Dist. restrs. and SS energy: 18.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -2075.610651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.610651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.228810 (E_RNA)
where:
Base-Base interactions energy: -1442.743
where: short stacking energy: -572.684
Base-Backbone interact. energy: -1.717
local terms energy: -649.769375
where:
bonds (distance) C4'-P energy: -116.316
bonds (distance) P-C4' energy: -120.085
flat angles C4'-P-C4' energy: -143.896
flat angles P-C4'-P energy: -82.607
tors. eta vs tors. theta energy: -186.864
Dist. restrs. and SS energy: 18.618 (S_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: 125
Temperature: 1.350000
Total energy: -1928.531599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.531599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.068577 (E_RNA)
where:
Base-Base interactions energy: -1338.679
where: short stacking energy: -560.979
Base-Backbone interact. energy: 1.598
local terms energy: -618.986884
where:
bonds (distance) C4'-P energy: -119.857
bonds (distance) P-C4' energy: -114.831
flat angles C4'-P-C4' energy: -130.689
flat angles P-C4'-P energy: -86.086
tors. eta vs tors. theta energy: -167.524
Dist. restrs. and SS energy: 27.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2715.178832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.178832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.078767 (E_RNA)
where:
Base-Base interactions energy: -1909.521
where: short stacking energy: -794.369
Base-Backbone interact. energy: -0.879
local terms energy: -815.678026
where:
bonds (distance) C4'-P energy: -141.059
bonds (distance) P-C4' energy: -142.639
flat angles C4'-P-C4' energy: -176.593
flat angles P-C4'-P energy: -109.838
tors. eta vs tors. theta energy: -245.549
Dist. restrs. and SS energy: 10.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2667.964753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.964753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.530502 (E_RNA)
where:
Base-Base interactions energy: -1898.157
where: short stacking energy: -810.814
Base-Backbone interact. energy: -1.862
local terms energy: -783.511585
where:
bonds (distance) C4'-P energy: -128.378
bonds (distance) P-C4' energy: -132.507
flat angles C4'-P-C4' energy: -163.485
flat angles P-C4'-P energy: -117.859
tors. eta vs tors. theta energy: -241.283
Dist. restrs. and SS energy: 15.566 (S_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: 126
Temperature: 1.000000
Total energy: -2597.673513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.673513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.260221 (E_RNA)
where:
Base-Base interactions energy: -1860.582
where: short stacking energy: -781.843
Base-Backbone interact. energy: -2.074
local terms energy: -744.604033
where:
bonds (distance) C4'-P energy: -118.946
bonds (distance) P-C4' energy: -133.242
flat angles C4'-P-C4' energy: -157.400
flat angles P-C4'-P energy: -97.201
tors. eta vs tors. theta energy: -237.815
Dist. restrs. and SS energy: 9.587 (S_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: -2538.205786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.205786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.557782 (E_RNA)
where:
Base-Base interactions energy: -1832.613
where: short stacking energy: -746.836
Base-Backbone interact. energy: -2.292
local terms energy: -712.652230
where:
bonds (distance) C4'-P energy: -128.333
bonds (distance) P-C4' energy: -104.887
flat angles C4'-P-C4' energy: -155.672
flat angles P-C4'-P energy: -96.657
tors. eta vs tors. theta energy: -227.103
Dist. restrs. and SS energy: 9.352 (S_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: 126
Temperature: 1.100000
Total energy: -2454.405729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.405729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.886858 (E_RNA)
where:
Base-Base interactions energy: -1754.819
where: short stacking energy: -695.711
Base-Backbone interact. energy: -1.929
local terms energy: -706.138967
where:
bonds (distance) C4'-P energy: -120.120
bonds (distance) P-C4' energy: -128.084
flat angles C4'-P-C4' energy: -149.572
flat angles P-C4'-P energy: -94.302
tors. eta vs tors. theta energy: -214.061
Dist. restrs. and SS energy: 8.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2367.729210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.729210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.747345 (E_RNA)
where:
Base-Base interactions energy: -1673.418
where: short stacking energy: -659.915
Base-Backbone interact. energy: -1.541
local terms energy: -700.788620
where:
bonds (distance) C4'-P energy: -140.410
bonds (distance) P-C4' energy: -128.425
flat angles C4'-P-C4' energy: -143.647
flat angles P-C4'-P energy: -78.751
tors. eta vs tors. theta energy: -209.556
Dist. restrs. and SS energy: 8.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2326.154862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.154862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.858061 (E_RNA)
where:
Base-Base interactions energy: -1653.872
where: short stacking energy: -681.546
Base-Backbone interact. energy: -0.791
local terms energy: -686.194945
where:
bonds (distance) C4'-P energy: -131.454
bonds (distance) P-C4' energy: -106.973
flat angles C4'-P-C4' energy: -158.567
flat angles P-C4'-P energy: -80.976
tors. eta vs tors. theta energy: -208.225
Dist. restrs. and SS energy: 14.703 (S_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: 126
Temperature: 1.250000
Total energy: -2190.884448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.884448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.059717 (E_RNA)
where:
Base-Base interactions energy: -1548.502
where: short stacking energy: -642.393
Base-Backbone interact. energy: -2.900
local terms energy: -660.656929
where:
bonds (distance) C4'-P energy: -115.114
bonds (distance) P-C4' energy: -106.005
flat angles C4'-P-C4' energy: -143.773
flat angles P-C4'-P energy: -101.372
tors. eta vs tors. theta energy: -194.394
Dist. restrs. and SS energy: 21.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -2106.436030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.436030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.390605 (E_RNA)
where:
Base-Base interactions energy: -1522.986
where: short stacking energy: -618.312
Base-Backbone interact. energy: -3.144
local terms energy: -601.261519
where:
bonds (distance) C4'-P energy: -114.217
bonds (distance) P-C4' energy: -86.446
flat angles C4'-P-C4' energy: -129.568
flat angles P-C4'-P energy: -84.210
tors. eta vs tors. theta energy: -186.822
Dist. restrs. and SS energy: 20.955 (S_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: 126
Temperature: 1.350000
Total energy: -1950.380983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.380983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.009782 (E_RNA)
where:
Base-Base interactions energy: -1372.204
where: short stacking energy: -523.821
Base-Backbone interact. energy: 0.628
local terms energy: -600.433826
where:
bonds (distance) C4'-P energy: -96.621
bonds (distance) P-C4' energy: -124.283
flat angles C4'-P-C4' energy: -133.241
flat angles P-C4'-P energy: -81.964
tors. eta vs tors. theta energy: -164.324
Dist. restrs. and SS energy: 21.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2711.107211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.107211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.269659 (E_RNA)
where:
Base-Base interactions energy: -1899.847
where: short stacking energy: -799.082
Base-Backbone interact. energy: -0.027
local terms energy: -818.395656
where:
bonds (distance) C4'-P energy: -150.562
bonds (distance) P-C4' energy: -137.704
flat angles C4'-P-C4' energy: -163.532
flat angles P-C4'-P energy: -116.294
tors. eta vs tors. theta energy: -250.303
Dist. restrs. and SS energy: 7.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2670.868572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.868572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.179177 (E_RNA)
where:
Base-Base interactions energy: -1886.410
where: short stacking energy: -774.257
Base-Backbone interact. energy: -2.216
local terms energy: -795.553496
where:
bonds (distance) C4'-P energy: -131.264
bonds (distance) P-C4' energy: -130.801
flat angles C4'-P-C4' energy: -167.776
flat angles P-C4'-P energy: -128.123
tors. eta vs tors. theta energy: -237.590
Dist. restrs. and SS energy: 13.311 (S_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: 127
Temperature: 1.000000
Total energy: -2608.630570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.630570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.096471 (E_RNA)
where:
Base-Base interactions energy: -1841.263
where: short stacking energy: -762.564
Base-Backbone interact. energy: -0.510
local terms energy: -778.323007
where:
bonds (distance) C4'-P energy: -128.896
bonds (distance) P-C4' energy: -139.230
flat angles C4'-P-C4' energy: -161.448
flat angles P-C4'-P energy: -109.693
tors. eta vs tors. theta energy: -239.057
Dist. restrs. and SS energy: 11.466 (S_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: -2553.802333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.802333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.641263 (E_RNA)
where:
Base-Base interactions energy: -1818.288
where: short stacking energy: -739.629
Base-Backbone interact. energy: -2.126
local terms energy: -744.226874
where:
bonds (distance) C4'-P energy: -127.489
bonds (distance) P-C4' energy: -122.555
flat angles C4'-P-C4' energy: -154.631
flat angles P-C4'-P energy: -113.749
tors. eta vs tors. theta energy: -225.804
Dist. restrs. and SS energy: 10.839 (S_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: 127
Temperature: 1.100000
Total energy: -2495.568483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.568483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.623158 (E_RNA)
where:
Base-Base interactions energy: -1772.671
where: short stacking energy: -727.721
Base-Backbone interact. energy: -0.299
local terms energy: -732.653094
where:
bonds (distance) C4'-P energy: -117.904
bonds (distance) P-C4' energy: -133.798
flat angles C4'-P-C4' energy: -159.278
flat angles P-C4'-P energy: -93.001
tors. eta vs tors. theta energy: -228.673
Dist. restrs. and SS energy: 10.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2343.854167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.854167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.007614 (E_RNA)
where:
Base-Base interactions energy: -1651.274
where: short stacking energy: -669.627
Base-Backbone interact. energy: -2.161
local terms energy: -699.573183
where:
bonds (distance) C4'-P energy: -112.888
bonds (distance) P-C4' energy: -127.639
flat angles C4'-P-C4' energy: -149.926
flat angles P-C4'-P energy: -100.378
tors. eta vs tors. theta energy: -208.742
Dist. restrs. and SS energy: 9.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2303.429278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.429278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.707569 (E_RNA)
where:
Base-Base interactions energy: -1627.650
where: short stacking energy: -666.293
Base-Backbone interact. energy: -1.346
local terms energy: -689.711887
where:
bonds (distance) C4'-P energy: -128.299
bonds (distance) P-C4' energy: -96.731
flat angles C4'-P-C4' energy: -151.641
flat angles P-C4'-P energy: -100.803
tors. eta vs tors. theta energy: -212.239
Dist. restrs. and SS energy: 15.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2228.042270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.042270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.403719 (E_RNA)
where:
Base-Base interactions energy: -1586.152
where: short stacking energy: -627.660
Base-Backbone interact. energy: 2.427
local terms energy: -662.678522
where:
bonds (distance) C4'-P energy: -121.491
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -149.014
flat angles P-C4'-P energy: -96.890
tors. eta vs tors. theta energy: -187.068
Dist. restrs. and SS energy: 18.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1971.337750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.337750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.739949 (E_RNA)
where:
Base-Base interactions energy: -1403.145
where: short stacking energy: -545.097
Base-Backbone interact. energy: 0.579
local terms energy: -589.173961
where:
bonds (distance) C4'-P energy: -127.815
bonds (distance) P-C4' energy: -103.497
flat angles C4'-P-C4' energy: -126.675
flat angles P-C4'-P energy: -66.332
tors. eta vs tors. theta energy: -164.855
Dist. restrs. and SS energy: 20.402 (S_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: 127
Temperature: 1.350000
Total energy: -1968.506347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.506347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.867991 (E_RNA)
where:
Base-Base interactions energy: -1426.643
where: short stacking energy: -572.036
Base-Backbone interact. energy: 0.000
local terms energy: -563.225580
where:
bonds (distance) C4'-P energy: -103.681
bonds (distance) P-C4' energy: -86.659
flat angles C4'-P-C4' energy: -138.446
flat angles P-C4'-P energy: -60.985
tors. eta vs tors. theta energy: -173.455
Dist. restrs. and SS energy: 21.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2727.718038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.718038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.509292 (E_RNA)
where:
Base-Base interactions energy: -1927.051
where: short stacking energy: -794.525
Base-Backbone interact. energy: 0.849
local terms energy: -809.308188
where:
bonds (distance) C4'-P energy: -133.984
bonds (distance) P-C4' energy: -148.625
flat angles C4'-P-C4' energy: -160.739
flat angles P-C4'-P energy: -123.256
tors. eta vs tors. theta energy: -242.705
Dist. restrs. and SS energy: 7.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2667.789891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.789891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.718381 (E_RNA)
where:
Base-Base interactions energy: -1915.075
where: short stacking energy: -774.238
Base-Backbone interact. energy: 2.264
local terms energy: -763.907592
where:
bonds (distance) C4'-P energy: -117.529
bonds (distance) P-C4' energy: -140.889
flat angles C4'-P-C4' energy: -147.014
flat angles P-C4'-P energy: -118.685
tors. eta vs tors. theta energy: -239.791
Dist. restrs. and SS energy: 8.928 (S_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: 128
Temperature: 1.000000
Total energy: -2582.861208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.861208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.390118 (E_RNA)
where:
Base-Base interactions energy: -1852.268
where: short stacking energy: -755.401
Base-Backbone interact. energy: -0.925
local terms energy: -742.197086
where:
bonds (distance) C4'-P energy: -124.862
bonds (distance) P-C4' energy: -133.702
flat angles C4'-P-C4' energy: -151.959
flat angles P-C4'-P energy: -102.907
tors. eta vs tors. theta energy: -228.768
Dist. restrs. and SS energy: 12.529 (S_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: 128
Temperature: 1.050000
Total energy: -2554.248900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.248900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.214619 (E_RNA)
where:
Base-Base interactions energy: -1826.593
where: short stacking energy: -762.259
Base-Backbone interact. energy: -0.325
local terms energy: -740.296916
where:
bonds (distance) C4'-P energy: -116.206
bonds (distance) P-C4' energy: -124.527
flat angles C4'-P-C4' energy: -167.263
flat angles P-C4'-P energy: -100.547
tors. eta vs tors. theta energy: -231.754
Dist. restrs. and SS energy: 12.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2480.021095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.021095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.408630 (E_RNA)
where:
Base-Base interactions energy: -1790.352
where: short stacking energy: -734.075
Base-Backbone interact. energy: -3.662
local terms energy: -693.394946
where:
bonds (distance) C4'-P energy: -116.101
bonds (distance) P-C4' energy: -111.145
flat angles C4'-P-C4' energy: -139.860
flat angles P-C4'-P energy: -105.901
tors. eta vs tors. theta energy: -220.387
Dist. restrs. and SS energy: 7.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2343.199868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.199868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.704449 (E_RNA)
where:
Base-Base interactions energy: -1673.556
where: short stacking energy: -664.185
Base-Backbone interact. energy: -5.780
local terms energy: -674.369107
where:
bonds (distance) C4'-P energy: -120.719
bonds (distance) P-C4' energy: -109.593
flat angles C4'-P-C4' energy: -144.340
flat angles P-C4'-P energy: -95.978
tors. eta vs tors. theta energy: -203.740
Dist. restrs. and SS energy: 10.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2313.318870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.318870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.983035 (E_RNA)
where:
Base-Base interactions energy: -1673.497
where: short stacking energy: -664.100
Base-Backbone interact. energy: -0.189
local terms energy: -653.296849
where:
bonds (distance) C4'-P energy: -110.110
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -141.894
flat angles P-C4'-P energy: -85.935
tors. eta vs tors. theta energy: -205.152
Dist. restrs. and SS energy: 13.664 (S_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: 128
Temperature: 1.250000
Total energy: -2174.491313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.491313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.443442 (E_RNA)
where:
Base-Base interactions energy: -1562.829
where: short stacking energy: -631.070
Base-Backbone interact. energy: 6.910
local terms energy: -638.524511
where:
bonds (distance) C4'-P energy: -96.341
bonds (distance) P-C4' energy: -112.905
flat angles C4'-P-C4' energy: -138.511
flat angles P-C4'-P energy: -90.094
tors. eta vs tors. theta energy: -200.673
Dist. restrs. and SS energy: 19.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1981.280320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.280320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.441386 (E_RNA)
where:
Base-Base interactions energy: -1415.447
where: short stacking energy: -587.887
Base-Backbone interact. energy: 1.410
local terms energy: -588.403815
where:
bonds (distance) C4'-P energy: -95.224
bonds (distance) P-C4' energy: -112.391
flat angles C4'-P-C4' energy: -141.537
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -168.786
Dist. restrs. and SS energy: 21.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1972.429183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.429183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.763155 (E_RNA)
where:
Base-Base interactions energy: -1388.335
where: short stacking energy: -553.029
Base-Backbone interact. energy: -0.923
local terms energy: -607.504913
where:
bonds (distance) C4'-P energy: -115.665
bonds (distance) P-C4' energy: -93.610
flat angles C4'-P-C4' energy: -133.898
flat angles P-C4'-P energy: -94.066
tors. eta vs tors. theta energy: -170.265
Dist. restrs. and SS energy: 24.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2725.165464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.165464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.563595 (E_RNA)
where:
Base-Base interactions energy: -1937.539
where: short stacking energy: -804.885
Base-Backbone interact. energy: -1.566
local terms energy: -794.458936
where:
bonds (distance) C4'-P energy: -125.785
bonds (distance) P-C4' energy: -137.833
flat angles C4'-P-C4' energy: -166.234
flat angles P-C4'-P energy: -119.411
tors. eta vs tors. theta energy: -245.196
Dist. restrs. and SS energy: 8.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2661.829595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.829595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.453850 (E_RNA)
where:
Base-Base interactions energy: -1909.285
where: short stacking energy: -765.409
Base-Backbone interact. energy: -0.347
local terms energy: -764.821879
where:
bonds (distance) C4'-P energy: -122.454
bonds (distance) P-C4' energy: -126.334
flat angles C4'-P-C4' energy: -156.637
flat angles P-C4'-P energy: -116.700
tors. eta vs tors. theta energy: -242.697
Dist. restrs. and SS energy: 12.624 (S_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: 129
Temperature: 1.000000
Total energy: -2595.487756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.487756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.620623 (E_RNA)
where:
Base-Base interactions energy: -1813.929
where: short stacking energy: -735.288
Base-Backbone interact. energy: -0.265
local terms energy: -790.426685
where:
bonds (distance) C4'-P energy: -149.567
bonds (distance) P-C4' energy: -144.460
flat angles C4'-P-C4' energy: -166.222
flat angles P-C4'-P energy: -105.250
tors. eta vs tors. theta energy: -224.928
Dist. restrs. and SS energy: 9.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2557.164285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.164285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.272805 (E_RNA)
where:
Base-Base interactions energy: -1811.773
where: short stacking energy: -726.282
Base-Backbone interact. energy: -3.732
local terms energy: -752.767782
where:
bonds (distance) C4'-P energy: -135.673
bonds (distance) P-C4' energy: -128.628
flat angles C4'-P-C4' energy: -140.607
flat angles P-C4'-P energy: -108.230
tors. eta vs tors. theta energy: -239.629
Dist. restrs. and SS energy: 11.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2504.418001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.418001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.315451 (E_RNA)
where:
Base-Base interactions energy: -1804.571
where: short stacking energy: -749.079
Base-Backbone interact. energy: 1.245
local terms energy: -712.988869
where:
bonds (distance) C4'-P energy: -119.785
bonds (distance) P-C4' energy: -118.759
flat angles C4'-P-C4' energy: -148.417
flat angles P-C4'-P energy: -105.596
tors. eta vs tors. theta energy: -220.432
Dist. restrs. and SS energy: 11.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2367.361222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.361222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.455973 (E_RNA)
where:
Base-Base interactions energy: -1689.259
where: short stacking energy: -684.825
Base-Backbone interact. energy: -3.761
local terms energy: -687.435382
where:
bonds (distance) C4'-P energy: -112.452
bonds (distance) P-C4' energy: -120.644
flat angles C4'-P-C4' energy: -140.046
flat angles P-C4'-P energy: -102.061
tors. eta vs tors. theta energy: -212.233
Dist. restrs. and SS energy: 13.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2301.610836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.610836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.721166 (E_RNA)
where:
Base-Base interactions energy: -1670.246
where: short stacking energy: -681.257
Base-Backbone interact. energy: 1.534
local terms energy: -650.008666
where:
bonds (distance) C4'-P energy: -123.335
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -125.052
flat angles P-C4'-P energy: -75.936
tors. eta vs tors. theta energy: -213.912
Dist. restrs. and SS energy: 17.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2168.895913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.895913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.753209 (E_RNA)
where:
Base-Base interactions energy: -1543.311
where: short stacking energy: -631.616
Base-Backbone interact. energy: -0.385
local terms energy: -639.056895
where:
bonds (distance) C4'-P energy: -119.861
bonds (distance) P-C4' energy: -121.217
flat angles C4'-P-C4' energy: -123.816
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -202.561
Dist. restrs. and SS energy: 13.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1981.112854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.112854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.167019 (E_RNA)
where:
Base-Base interactions energy: -1401.379
where: short stacking energy: -557.283
Base-Backbone interact. energy: -1.545
local terms energy: -592.243601
where:
bonds (distance) C4'-P energy: -119.562
bonds (distance) P-C4' energy: -114.491
flat angles C4'-P-C4' energy: -135.307
flat angles P-C4'-P energy: -58.638
tors. eta vs tors. theta energy: -164.246
Dist. restrs. and SS energy: 14.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1950.491264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.491264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.674612 (E_RNA)
where:
Base-Base interactions energy: -1401.480
where: short stacking energy: -578.676
Base-Backbone interact. energy: -1.720
local terms energy: -567.474728
where:
bonds (distance) C4'-P energy: -86.277
bonds (distance) P-C4' energy: -113.396
flat angles C4'-P-C4' energy: -122.061
flat angles P-C4'-P energy: -69.821
tors. eta vs tors. theta energy: -175.919
Dist. restrs. and SS energy: 20.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2701.107309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.107309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.600464 (E_RNA)
where:
Base-Base interactions energy: -1895.342
where: short stacking energy: -785.235
Base-Backbone interact. energy: -3.054
local terms energy: -808.204735
where:
bonds (distance) C4'-P energy: -147.149
bonds (distance) P-C4' energy: -155.820
flat angles C4'-P-C4' energy: -153.109
flat angles P-C4'-P energy: -107.268
tors. eta vs tors. theta energy: -244.859
Dist. restrs. and SS energy: 5.493 (S_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: 130
Temperature: 0.950000
Total energy: -2690.587904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.587904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.800523 (E_RNA)
where:
Base-Base interactions energy: -1899.977
where: short stacking energy: -788.360
Base-Backbone interact. energy: -1.546
local terms energy: -798.277480
where:
bonds (distance) C4'-P energy: -141.882
bonds (distance) P-C4' energy: -132.709
flat angles C4'-P-C4' energy: -163.212
flat angles P-C4'-P energy: -116.237
tors. eta vs tors. theta energy: -244.238
Dist. restrs. and SS energy: 9.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2570.995430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.995430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.136639 (E_RNA)
where:
Base-Base interactions energy: -1823.552
where: short stacking energy: -743.560
Base-Backbone interact. energy: -1.952
local terms energy: -752.632766
where:
bonds (distance) C4'-P energy: -128.251
bonds (distance) P-C4' energy: -137.836
flat angles C4'-P-C4' energy: -155.333
flat angles P-C4'-P energy: -104.880
tors. eta vs tors. theta energy: -226.333
Dist. restrs. and SS energy: 7.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2563.644777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.644777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.396733 (E_RNA)
where:
Base-Base interactions energy: -1827.037
where: short stacking energy: -771.256
Base-Backbone interact. energy: -0.558
local terms energy: -746.801674
where:
bonds (distance) C4'-P energy: -111.715
bonds (distance) P-C4' energy: -128.735
flat angles C4'-P-C4' energy: -165.887
flat angles P-C4'-P energy: -97.161
tors. eta vs tors. theta energy: -243.303
Dist. restrs. and SS energy: 10.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2497.497312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.497312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.590923 (E_RNA)
where:
Base-Base interactions energy: -1780.571
where: short stacking energy: -744.424
Base-Backbone interact. energy: -0.875
local terms energy: -728.144526
where:
bonds (distance) C4'-P energy: -103.068
bonds (distance) P-C4' energy: -135.919
flat angles C4'-P-C4' energy: -163.493
flat angles P-C4'-P energy: -93.355
tors. eta vs tors. theta energy: -232.310
Dist. restrs. and SS energy: 12.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2381.284471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.284471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.816878 (E_RNA)
where:
Base-Base interactions energy: -1694.969
where: short stacking energy: -682.806
Base-Backbone interact. energy: -1.550
local terms energy: -692.297828
where:
bonds (distance) C4'-P energy: -124.874
bonds (distance) P-C4' energy: -123.120
flat angles C4'-P-C4' energy: -147.763
flat angles P-C4'-P energy: -94.910
tors. eta vs tors. theta energy: -201.631
Dist. restrs. and SS energy: 7.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2322.493831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.493831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.659830 (E_RNA)
where:
Base-Base interactions energy: -1655.014
where: short stacking energy: -670.913
Base-Backbone interact. energy: 2.608
local terms energy: -685.254082
where:
bonds (distance) C4'-P energy: -128.159
bonds (distance) P-C4' energy: -111.554
flat angles C4'-P-C4' energy: -137.953
flat angles P-C4'-P energy: -92.732
tors. eta vs tors. theta energy: -214.857
Dist. restrs. and SS energy: 15.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -2175.448926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.448926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.313809 (E_RNA)
where:
Base-Base interactions energy: -1565.777
where: short stacking energy: -625.167
Base-Backbone interact. energy: -3.867
local terms energy: -627.670007
where:
bonds (distance) C4'-P energy: -111.555
bonds (distance) P-C4' energy: -109.566
flat angles C4'-P-C4' energy: -124.873
flat angles P-C4'-P energy: -90.398
tors. eta vs tors. theta energy: -191.278
Dist. restrs. and SS energy: 21.865 (S_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: 130
Temperature: 1.300000
Total energy: -2023.129067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.129067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.425865 (E_RNA)
where:
Base-Base interactions energy: -1432.474
where: short stacking energy: -553.364
Base-Backbone interact. energy: 0.759
local terms energy: -615.711413
where:
bonds (distance) C4'-P energy: -124.865
bonds (distance) P-C4' energy: -112.803
flat angles C4'-P-C4' energy: -136.175
flat angles P-C4'-P energy: -77.336
tors. eta vs tors. theta energy: -164.532
Dist. restrs. and SS energy: 24.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1936.168009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.168009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.688645 (E_RNA)
where:
Base-Base interactions energy: -1391.951
where: short stacking energy: -540.479
Base-Backbone interact. energy: -1.747
local terms energy: -560.990562
where:
bonds (distance) C4'-P energy: -102.430
bonds (distance) P-C4' energy: -110.076
flat angles C4'-P-C4' energy: -117.702
flat angles P-C4'-P energy: -72.765
tors. eta vs tors. theta energy: -158.018
Dist. restrs. and SS energy: 18.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2732.396330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.396330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.544132 (E_RNA)
where:
Base-Base interactions energy: -1914.134
where: short stacking energy: -804.687
Base-Backbone interact. energy: -1.599
local terms energy: -821.811432
where:
bonds (distance) C4'-P energy: -133.610
bonds (distance) P-C4' energy: -156.145
flat angles C4'-P-C4' energy: -157.437
flat angles P-C4'-P energy: -119.503
tors. eta vs tors. theta energy: -255.116
Dist. restrs. and SS energy: 5.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2679.750959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.750959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.470812 (E_RNA)
where:
Base-Base interactions energy: -1880.527
where: short stacking energy: -779.614
Base-Backbone interact. energy: -1.377
local terms energy: -808.566615
where:
bonds (distance) C4'-P energy: -134.254
bonds (distance) P-C4' energy: -142.150
flat angles C4'-P-C4' energy: -161.708
flat angles P-C4'-P energy: -121.594
tors. eta vs tors. theta energy: -248.861
Dist. restrs. and SS energy: 10.720 (S_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: 131
Temperature: 1.000000
Total energy: -2602.570817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.570817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.563357 (E_RNA)
where:
Base-Base interactions energy: -1826.590
where: short stacking energy: -730.431
Base-Backbone interact. energy: -1.053
local terms energy: -784.920351
where:
bonds (distance) C4'-P energy: -149.012
bonds (distance) P-C4' energy: -136.663
flat angles C4'-P-C4' energy: -153.075
flat angles P-C4'-P energy: -115.638
tors. eta vs tors. theta energy: -230.532
Dist. restrs. and SS energy: 9.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2562.674990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.674990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.268753 (E_RNA)
where:
Base-Base interactions energy: -1808.128
where: short stacking energy: -722.870
Base-Backbone interact. energy: 0.369
local terms energy: -768.509958
where:
bonds (distance) C4'-P energy: -140.794
bonds (distance) P-C4' energy: -142.127
flat angles C4'-P-C4' energy: -152.702
flat angles P-C4'-P energy: -107.794
tors. eta vs tors. theta energy: -225.093
Dist. restrs. and SS energy: 13.594 (S_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: -2491.377761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.377761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.270829 (E_RNA)
where:
Base-Base interactions energy: -1750.473
where: short stacking energy: -720.509
Base-Backbone interact. energy: -1.225
local terms energy: -752.573055
where:
bonds (distance) C4'-P energy: -121.812
bonds (distance) P-C4' energy: -139.309
flat angles C4'-P-C4' energy: -151.165
flat angles P-C4'-P energy: -103.940
tors. eta vs tors. theta energy: -236.348
Dist. restrs. and SS energy: 12.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2366.426328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.426328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.461243 (E_RNA)
where:
Base-Base interactions energy: -1696.520
where: short stacking energy: -688.454
Base-Backbone interact. energy: -2.016
local terms energy: -682.925550
where:
bonds (distance) C4'-P energy: -93.363
bonds (distance) P-C4' energy: -136.949
flat angles C4'-P-C4' energy: -140.666
flat angles P-C4'-P energy: -106.217
tors. eta vs tors. theta energy: -205.731
Dist. restrs. and SS energy: 15.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2305.148014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.148014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.178328 (E_RNA)
where:
Base-Base interactions energy: -1656.176
where: short stacking energy: -663.999
Base-Backbone interact. energy: -3.303
local terms energy: -651.699259
where:
bonds (distance) C4'-P energy: -121.828
bonds (distance) P-C4' energy: -103.551
flat angles C4'-P-C4' energy: -140.703
flat angles P-C4'-P energy: -82.709
tors. eta vs tors. theta energy: -202.909
Dist. restrs. and SS energy: 6.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2066.753839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.753839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.368628 (E_RNA)
where:
Base-Base interactions energy: -1468.327
where: short stacking energy: -584.946
Base-Backbone interact. energy: -2.335
local terms energy: -612.705888
where:
bonds (distance) C4'-P energy: -106.870
bonds (distance) P-C4' energy: -109.258
flat angles C4'-P-C4' energy: -138.118
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -176.616
Dist. restrs. and SS energy: 16.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -2082.846791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.846791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.258431 (E_RNA)
where:
Base-Base interactions energy: -1516.361
where: short stacking energy: -601.794
Base-Backbone interact. energy: 1.145
local terms energy: -589.041903
where:
bonds (distance) C4'-P energy: -114.707
bonds (distance) P-C4' energy: -99.743
flat angles C4'-P-C4' energy: -120.817
flat angles P-C4'-P energy: -79.049
tors. eta vs tors. theta energy: -174.727
Dist. restrs. and SS energy: 21.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1954.088264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.088264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.027864 (E_RNA)
where:
Base-Base interactions energy: -1368.906
where: short stacking energy: -541.661
Base-Backbone interact. energy: -1.124
local terms energy: -608.997906
where:
bonds (distance) C4'-P energy: -121.709
bonds (distance) P-C4' energy: -122.073
flat angles C4'-P-C4' energy: -135.618
flat angles P-C4'-P energy: -72.001
tors. eta vs tors. theta energy: -157.597
Dist. restrs. and SS energy: 24.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2719.422396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.422396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.701079 (E_RNA)
where:
Base-Base interactions energy: -1941.757
where: short stacking energy: -814.739
Base-Backbone interact. energy: -0.613
local terms energy: -786.330682
where:
bonds (distance) C4'-P energy: -137.476
bonds (distance) P-C4' energy: -125.207
flat angles C4'-P-C4' energy: -166.744
flat angles P-C4'-P energy: -107.351
tors. eta vs tors. theta energy: -249.553
Dist. restrs. and SS energy: 9.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2669.083745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.083745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.163650 (E_RNA)
where:
Base-Base interactions energy: -1884.927
where: short stacking energy: -781.560
Base-Backbone interact. energy: -2.881
local terms energy: -793.355076
where:
bonds (distance) C4'-P energy: -129.522
bonds (distance) P-C4' energy: -144.453
flat angles C4'-P-C4' energy: -170.054
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -242.461
Dist. restrs. and SS energy: 12.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2589.721676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.721676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.367452 (E_RNA)
where:
Base-Base interactions energy: -1844.200
where: short stacking energy: -754.169
Base-Backbone interact. energy: -1.974
local terms energy: -750.193671
where:
bonds (distance) C4'-P energy: -126.441
bonds (distance) P-C4' energy: -128.138
flat angles C4'-P-C4' energy: -159.042
flat angles P-C4'-P energy: -107.752
tors. eta vs tors. theta energy: -228.820
Dist. restrs. and SS energy: 6.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2557.423061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.423061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.051747 (E_RNA)
where:
Base-Base interactions energy: -1814.551
where: short stacking energy: -743.675
Base-Backbone interact. energy: -0.502
local terms energy: -751.998344
where:
bonds (distance) C4'-P energy: -134.520
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -145.564
flat angles P-C4'-P energy: -114.630
tors. eta vs tors. theta energy: -238.529
Dist. restrs. and SS energy: 9.629 (S_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: -2494.991752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.991752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.422068 (E_RNA)
where:
Base-Base interactions energy: -1769.675
where: short stacking energy: -716.245
Base-Backbone interact. energy: -0.801
local terms energy: -740.946524
where:
bonds (distance) C4'-P energy: -130.924
bonds (distance) P-C4' energy: -121.388
flat angles C4'-P-C4' energy: -156.393
flat angles P-C4'-P energy: -101.743
tors. eta vs tors. theta energy: -230.498
Dist. restrs. and SS energy: 16.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2344.971651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.971651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.715592 (E_RNA)
where:
Base-Base interactions energy: -1690.106
where: short stacking energy: -697.866
Base-Backbone interact. energy: -1.818
local terms energy: -667.791653
where:
bonds (distance) C4'-P energy: -99.898
bonds (distance) P-C4' energy: -124.804
flat angles C4'-P-C4' energy: -143.344
flat angles P-C4'-P energy: -99.216
tors. eta vs tors. theta energy: -200.530
Dist. restrs. and SS energy: 14.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2263.758204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.758204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.797038 (E_RNA)
where:
Base-Base interactions energy: -1582.344
where: short stacking energy: -629.752
Base-Backbone interact. energy: -2.347
local terms energy: -688.105738
where:
bonds (distance) C4'-P energy: -137.736
bonds (distance) P-C4' energy: -118.625
flat angles C4'-P-C4' energy: -139.496
flat angles P-C4'-P energy: -91.761
tors. eta vs tors. theta energy: -200.487
Dist. restrs. and SS energy: 9.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2055.780303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.780303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.556737 (E_RNA)
where:
Base-Base interactions energy: -1461.421
where: short stacking energy: -588.635
Base-Backbone interact. energy: -1.021
local terms energy: -613.115401
where:
bonds (distance) C4'-P energy: -97.475
bonds (distance) P-C4' energy: -112.826
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -91.557
tors. eta vs tors. theta energy: -172.687
Dist. restrs. and SS energy: 19.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -2058.345014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.345014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.895119 (E_RNA)
where:
Base-Base interactions energy: -1479.485
where: short stacking energy: -580.187
Base-Backbone interact. energy: 1.874
local terms energy: -598.283412
where:
bonds (distance) C4'-P energy: -119.124
bonds (distance) P-C4' energy: -97.388
flat angles C4'-P-C4' energy: -125.246
flat angles P-C4'-P energy: -81.928
tors. eta vs tors. theta energy: -174.597
Dist. restrs. and SS energy: 17.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1986.499286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.499286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.425337 (E_RNA)
where:
Base-Base interactions energy: -1410.355
where: short stacking energy: -572.232
Base-Backbone interact. energy: -4.571
local terms energy: -592.499266
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -106.066
flat angles C4'-P-C4' energy: -129.599
flat angles P-C4'-P energy: -80.371
tors. eta vs tors. theta energy: -169.588
Dist. restrs. and SS energy: 20.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2700.430173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.430173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.428857 (E_RNA)
where:
Base-Base interactions energy: -1935.827
where: short stacking energy: -796.867
Base-Backbone interact. energy: 2.353
local terms energy: -773.955770
where:
bonds (distance) C4'-P energy: -121.626
bonds (distance) P-C4' energy: -126.138
flat angles C4'-P-C4' energy: -161.701
flat angles P-C4'-P energy: -110.958
tors. eta vs tors. theta energy: -253.533
Dist. restrs. and SS energy: 6.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2645.415650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.415650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.396367 (E_RNA)
where:
Base-Base interactions energy: -1884.876
where: short stacking energy: -760.547
Base-Backbone interact. energy: -0.004
local terms energy: -773.517150
where:
bonds (distance) C4'-P energy: -126.938
bonds (distance) P-C4' energy: -139.829
flat angles C4'-P-C4' energy: -155.814
flat angles P-C4'-P energy: -103.310
tors. eta vs tors. theta energy: -247.626
Dist. restrs. and SS energy: 12.981 (S_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: 133
Temperature: 1.000000
Total energy: -2616.993738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.993738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.289061 (E_RNA)
where:
Base-Base interactions energy: -1849.265
where: short stacking energy: -770.010
Base-Backbone interact. energy: 1.520
local terms energy: -785.544146
where:
bonds (distance) C4'-P energy: -136.502
bonds (distance) P-C4' energy: -147.831
flat angles C4'-P-C4' energy: -163.140
flat angles P-C4'-P energy: -101.356
tors. eta vs tors. theta energy: -236.715
Dist. restrs. and SS energy: 16.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2567.564125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.564125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.922742 (E_RNA)
where:
Base-Base interactions energy: -1830.207
where: short stacking energy: -766.907
Base-Backbone interact. energy: -1.098
local terms energy: -747.617467
where:
bonds (distance) C4'-P energy: -137.577
bonds (distance) P-C4' energy: -115.423
flat angles C4'-P-C4' energy: -151.767
flat angles P-C4'-P energy: -106.118
tors. eta vs tors. theta energy: -236.733
Dist. restrs. and SS energy: 11.359 (S_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: -2488.928538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.928538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.686369 (E_RNA)
where:
Base-Base interactions energy: -1761.459
where: short stacking energy: -717.541
Base-Backbone interact. energy: -1.131
local terms energy: -738.096087
where:
bonds (distance) C4'-P energy: -124.355
bonds (distance) P-C4' energy: -125.927
flat angles C4'-P-C4' energy: -154.058
flat angles P-C4'-P energy: -105.663
tors. eta vs tors. theta energy: -228.094
Dist. restrs. and SS energy: 11.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2395.417437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.417437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.965295 (E_RNA)
where:
Base-Base interactions energy: -1719.454
where: short stacking energy: -704.818
Base-Backbone interact. energy: -0.863
local terms energy: -687.648649
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -115.212
flat angles C4'-P-C4' energy: -137.186
flat angles P-C4'-P energy: -100.663
tors. eta vs tors. theta energy: -215.779
Dist. restrs. and SS energy: 12.548 (S_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: 133
Temperature: 1.200000
Total energy: -2313.642925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.642925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.563613 (E_RNA)
where:
Base-Base interactions energy: -1671.188
where: short stacking energy: -668.799
Base-Backbone interact. energy: -0.641
local terms energy: -654.734962
where:
bonds (distance) C4'-P energy: -109.158
bonds (distance) P-C4' energy: -116.841
flat angles C4'-P-C4' energy: -129.511
flat angles P-C4'-P energy: -88.178
tors. eta vs tors. theta energy: -211.048
Dist. restrs. and SS energy: 12.921 (S_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: 133
Temperature: 1.250000
Total energy: -2204.809791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.809791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.899950 (E_RNA)
where:
Base-Base interactions energy: -1553.483
where: short stacking energy: -605.545
Base-Backbone interact. energy: -2.620
local terms energy: -663.797096
where:
bonds (distance) C4'-P energy: -116.614
bonds (distance) P-C4' energy: -120.795
flat angles C4'-P-C4' energy: -146.867
flat angles P-C4'-P energy: -92.691
tors. eta vs tors. theta energy: -186.831
Dist. restrs. and SS energy: 15.090 (S_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: 133
Temperature: 1.300000
Total energy: -2032.570340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.570340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.656280 (E_RNA)
where:
Base-Base interactions energy: -1457.658
where: short stacking energy: -560.763
Base-Backbone interact. energy: -0.105
local terms energy: -591.892473
where:
bonds (distance) C4'-P energy: -96.091
bonds (distance) P-C4' energy: -119.011
flat angles C4'-P-C4' energy: -131.287
flat angles P-C4'-P energy: -84.402
tors. eta vs tors. theta energy: -161.102
Dist. restrs. and SS energy: 17.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1914.627640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.627640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.448266 (E_RNA)
where:
Base-Base interactions energy: -1376.740
where: short stacking energy: -539.587
Base-Backbone interact. energy: -1.264
local terms energy: -561.444432
where:
bonds (distance) C4'-P energy: -75.922
bonds (distance) P-C4' energy: -120.149
flat angles C4'-P-C4' energy: -124.418
flat angles P-C4'-P energy: -72.467
tors. eta vs tors. theta energy: -168.488
Dist. restrs. and SS energy: 24.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2703.694122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.694122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.787641 (E_RNA)
where:
Base-Base interactions energy: -1902.217
where: short stacking energy: -774.965
Base-Backbone interact. energy: -2.348
local terms energy: -803.222524
where:
bonds (distance) C4'-P energy: -145.407
bonds (distance) P-C4' energy: -134.362
flat angles C4'-P-C4' energy: -161.844
flat angles P-C4'-P energy: -117.587
tors. eta vs tors. theta energy: -244.022
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2671.220526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.220526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.578385 (E_RNA)
where:
Base-Base interactions energy: -1908.219
where: short stacking energy: -790.736
Base-Backbone interact. energy: -2.711
local terms energy: -772.648122
where:
bonds (distance) C4'-P energy: -120.358
bonds (distance) P-C4' energy: -133.711
flat angles C4'-P-C4' energy: -163.978
flat angles P-C4'-P energy: -109.034
tors. eta vs tors. theta energy: -245.567
Dist. restrs. and SS energy: 12.358 (S_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: 134
Temperature: 1.000000
Total energy: -2616.899619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.899619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.816017 (E_RNA)
where:
Base-Base interactions energy: -1863.080
where: short stacking energy: -772.376
Base-Backbone interact. energy: -1.266
local terms energy: -765.470262
where:
bonds (distance) C4'-P energy: -126.718
bonds (distance) P-C4' energy: -130.579
flat angles C4'-P-C4' energy: -159.936
flat angles P-C4'-P energy: -108.594
tors. eta vs tors. theta energy: -239.643
Dist. restrs. and SS energy: 12.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2584.497681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.497681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.876413 (E_RNA)
where:
Base-Base interactions energy: -1865.595
where: short stacking energy: -781.563
Base-Backbone interact. energy: -2.828
local terms energy: -727.452527
where:
bonds (distance) C4'-P energy: -108.416
bonds (distance) P-C4' energy: -130.114
flat angles C4'-P-C4' energy: -153.960
flat angles P-C4'-P energy: -98.820
tors. eta vs tors. theta energy: -236.142
Dist. restrs. and SS energy: 11.379 (S_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: -2490.391912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.391912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.281630 (E_RNA)
where:
Base-Base interactions energy: -1741.987
where: short stacking energy: -718.976
Base-Backbone interact. energy: 6.196
local terms energy: -765.489889
where:
bonds (distance) C4'-P energy: -124.881
bonds (distance) P-C4' energy: -142.220
flat angles C4'-P-C4' energy: -160.063
flat angles P-C4'-P energy: -109.551
tors. eta vs tors. theta energy: -228.776
Dist. restrs. and SS energy: 10.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2365.463196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.463196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.825861 (E_RNA)
where:
Base-Base interactions energy: -1693.969
where: short stacking energy: -719.476
Base-Backbone interact. energy: -1.892
local terms energy: -684.965077
where:
bonds (distance) C4'-P energy: -116.545
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -151.348
flat angles P-C4'-P energy: -98.546
tors. eta vs tors. theta energy: -221.313
Dist. restrs. and SS energy: 15.363 (S_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: 134
Temperature: 1.200000
Total energy: -2282.927624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.927624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.373436 (E_RNA)
where:
Base-Base interactions energy: -1648.331
where: short stacking energy: -694.347
Base-Backbone interact. energy: 3.924
local terms energy: -665.967041
where:
bonds (distance) C4'-P energy: -121.001
bonds (distance) P-C4' energy: -123.180
flat angles C4'-P-C4' energy: -136.843
flat angles P-C4'-P energy: -82.875
tors. eta vs tors. theta energy: -202.067
Dist. restrs. and SS energy: 27.446 (S_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: 134
Temperature: 1.250000
Total energy: -2163.411140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.411140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.287686 (E_RNA)
where:
Base-Base interactions energy: -1568.901
where: short stacking energy: -640.308
Base-Backbone interact. energy: -2.270
local terms energy: -611.116108
where:
bonds (distance) C4'-P energy: -106.645
bonds (distance) P-C4' energy: -116.650
flat angles C4'-P-C4' energy: -127.455
flat angles P-C4'-P energy: -70.908
tors. eta vs tors. theta energy: -189.459
Dist. restrs. and SS energy: 18.877 (S_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: 134
Temperature: 1.300000
Total energy: -2013.191236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.191236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.026453 (E_RNA)
where:
Base-Base interactions energy: -1389.827
where: short stacking energy: -574.123
Base-Backbone interact. energy: -0.224
local terms energy: -646.975545
where:
bonds (distance) C4'-P energy: -122.275
bonds (distance) P-C4' energy: -132.632
flat angles C4'-P-C4' energy: -130.221
flat angles P-C4'-P energy: -81.483
tors. eta vs tors. theta energy: -180.365
Dist. restrs. and SS energy: 23.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1928.943220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.943220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.308001 (E_RNA)
where:
Base-Base interactions energy: -1372.976
where: short stacking energy: -554.835
Base-Backbone interact. energy: -2.374
local terms energy: -579.958097
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -106.995
flat angles C4'-P-C4' energy: -130.262
flat angles P-C4'-P energy: -77.507
tors. eta vs tors. theta energy: -172.439
Dist. restrs. and SS energy: 26.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2740.787678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.787678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.115340 (E_RNA)
where:
Base-Base interactions energy: -1908.763
where: short stacking energy: -797.278
Base-Backbone interact. energy: -2.026
local terms energy: -833.326363
where:
bonds (distance) C4'-P energy: -140.960
bonds (distance) P-C4' energy: -157.337
flat angles C4'-P-C4' energy: -163.429
flat angles P-C4'-P energy: -121.451
tors. eta vs tors. theta energy: -250.150
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2655.051874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.051874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.307428 (E_RNA)
where:
Base-Base interactions energy: -1898.435
where: short stacking energy: -794.647
Base-Backbone interact. energy: -0.066
local terms energy: -769.807083
where:
bonds (distance) C4'-P energy: -116.708
bonds (distance) P-C4' energy: -146.755
flat angles C4'-P-C4' energy: -145.653
flat angles P-C4'-P energy: -117.040
tors. eta vs tors. theta energy: -243.652
Dist. restrs. and SS energy: 13.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2588.194034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.194034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.943336 (E_RNA)
where:
Base-Base interactions energy: -1826.347
where: short stacking energy: -773.055
Base-Backbone interact. energy: -0.014
local terms energy: -775.582435
where:
bonds (distance) C4'-P energy: -126.129
bonds (distance) P-C4' energy: -133.715
flat angles C4'-P-C4' energy: -168.586
flat angles P-C4'-P energy: -110.550
tors. eta vs tors. theta energy: -236.603
Dist. restrs. and SS energy: 13.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2539.512135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.512135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.774643 (E_RNA)
where:
Base-Base interactions energy: -1795.898
where: short stacking energy: -734.025
Base-Backbone interact. energy: -2.091
local terms energy: -751.785369
where:
bonds (distance) C4'-P energy: -131.810
bonds (distance) P-C4' energy: -133.501
flat angles C4'-P-C4' energy: -159.326
flat angles P-C4'-P energy: -92.739
tors. eta vs tors. theta energy: -234.409
Dist. restrs. and SS energy: 10.263 (S_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: -2495.491300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.491300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.639157 (E_RNA)
where:
Base-Base interactions energy: -1772.622
where: short stacking energy: -725.082
Base-Backbone interact. energy: -1.816
local terms energy: -734.201528
where:
bonds (distance) C4'-P energy: -121.637
bonds (distance) P-C4' energy: -123.085
flat angles C4'-P-C4' energy: -151.020
flat angles P-C4'-P energy: -105.089
tors. eta vs tors. theta energy: -233.371
Dist. restrs. and SS energy: 13.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2370.735671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.735671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.938183 (E_RNA)
where:
Base-Base interactions energy: -1695.718
where: short stacking energy: -706.435
Base-Backbone interact. energy: -2.060
local terms energy: -689.160692
where:
bonds (distance) C4'-P energy: -112.393
bonds (distance) P-C4' energy: -134.491
flat angles C4'-P-C4' energy: -141.801
flat angles P-C4'-P energy: -84.467
tors. eta vs tors. theta energy: -216.008
Dist. restrs. and SS energy: 16.203 (S_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: 135
Temperature: 1.200000
Total energy: -2309.311409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.311409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.016911 (E_RNA)
where:
Base-Base interactions energy: -1658.375
where: short stacking energy: -651.988
Base-Backbone interact. energy: -4.276
local terms energy: -662.365924
where:
bonds (distance) C4'-P energy: -96.548
bonds (distance) P-C4' energy: -122.633
flat angles C4'-P-C4' energy: -139.742
flat angles P-C4'-P energy: -98.408
tors. eta vs tors. theta energy: -205.035
Dist. restrs. and SS energy: 15.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2101.025787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.025787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.668590 (E_RNA)
where:
Base-Base interactions energy: -1475.083
where: short stacking energy: -590.899
Base-Backbone interact. energy: -3.184
local terms energy: -637.400912
where:
bonds (distance) C4'-P energy: -133.746
bonds (distance) P-C4' energy: -107.547
flat angles C4'-P-C4' energy: -125.690
flat angles P-C4'-P energy: -96.160
tors. eta vs tors. theta energy: -174.257
Dist. restrs. and SS energy: 14.643 (S_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: 135
Temperature: 1.300000
Total energy: -2043.727719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.727719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.386193 (E_RNA)
where:
Base-Base interactions energy: -1419.631
where: short stacking energy: -584.253
Base-Backbone interact. energy: -1.350
local terms energy: -644.405481
where:
bonds (distance) C4'-P energy: -114.529
bonds (distance) P-C4' energy: -120.022
flat angles C4'-P-C4' energy: -139.239
flat angles P-C4'-P energy: -91.189
tors. eta vs tors. theta energy: -179.427
Dist. restrs. and SS energy: 21.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1908.498288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.498288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.495954 (E_RNA)
where:
Base-Base interactions energy: -1337.732
where: short stacking energy: -505.964
Base-Backbone interact. energy: -1.824
local terms energy: -587.940806
where:
bonds (distance) C4'-P energy: -107.105
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -121.324
flat angles P-C4'-P energy: -66.650
tors. eta vs tors. theta energy: -182.405
Dist. restrs. and SS energy: 18.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2714.030853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.030853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.584026 (E_RNA)
where:
Base-Base interactions energy: -1917.659
where: short stacking energy: -797.806
Base-Backbone interact. energy: -2.456
local terms energy: -799.469853
where:
bonds (distance) C4'-P energy: -143.769
bonds (distance) P-C4' energy: -134.017
flat angles C4'-P-C4' energy: -157.851
flat angles P-C4'-P energy: -119.280
tors. eta vs tors. theta energy: -244.553
Dist. restrs. and SS energy: 5.553 (S_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: 136
Temperature: 0.950000
Total energy: -2659.130472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.130472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.799942 (E_RNA)
where:
Base-Base interactions energy: -1886.929
where: short stacking energy: -765.505
Base-Backbone interact. energy: -1.452
local terms energy: -784.418664
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -147.783
flat angles C4'-P-C4' energy: -152.978
flat angles P-C4'-P energy: -111.067
tors. eta vs tors. theta energy: -232.055
Dist. restrs. and SS energy: 13.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2580.737452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.737452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.737407 (E_RNA)
where:
Base-Base interactions energy: -1833.981
where: short stacking energy: -764.280
Base-Backbone interact. energy: -1.931
local terms energy: -759.824763
where:
bonds (distance) C4'-P energy: -126.789
bonds (distance) P-C4' energy: -131.783
flat angles C4'-P-C4' energy: -151.790
flat angles P-C4'-P energy: -107.131
tors. eta vs tors. theta energy: -242.332
Dist. restrs. and SS energy: 15.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2562.637250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.637250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.388631 (E_RNA)
where:
Base-Base interactions energy: -1821.768
where: short stacking energy: -735.024
Base-Backbone interact. energy: -2.410
local terms energy: -749.210246
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -129.586
flat angles C4'-P-C4' energy: -156.621
flat angles P-C4'-P energy: -112.731
tors. eta vs tors. theta energy: -237.187
Dist. restrs. and SS energy: 10.751 (S_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: 136
Temperature: 1.100000
Total energy: -2501.017732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.017732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.305438 (E_RNA)
where:
Base-Base interactions energy: -1788.494
where: short stacking energy: -739.618
Base-Backbone interact. energy: -1.022
local terms energy: -723.789142
where:
bonds (distance) C4'-P energy: -109.480
bonds (distance) P-C4' energy: -124.643
flat angles C4'-P-C4' energy: -154.296
flat angles P-C4'-P energy: -112.107
tors. eta vs tors. theta energy: -223.263
Dist. restrs. and SS energy: 12.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2389.439376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.439376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.877989 (E_RNA)
where:
Base-Base interactions energy: -1709.748
where: short stacking energy: -681.933
Base-Backbone interact. energy: -1.570
local terms energy: -689.559777
where:
bonds (distance) C4'-P energy: -110.224
bonds (distance) P-C4' energy: -112.728
flat angles C4'-P-C4' energy: -158.744
flat angles P-C4'-P energy: -88.595
tors. eta vs tors. theta energy: -219.269
Dist. restrs. and SS energy: 11.439 (S_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: 136
Temperature: 1.200000
Total energy: -2231.765158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.765158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.020335 (E_RNA)
where:
Base-Base interactions energy: -1596.907
where: short stacking energy: -629.669
Base-Backbone interact. energy: -3.139
local terms energy: -638.975015
where:
bonds (distance) C4'-P energy: -116.589
bonds (distance) P-C4' energy: -107.958
flat angles C4'-P-C4' energy: -129.449
flat angles P-C4'-P energy: -97.411
tors. eta vs tors. theta energy: -187.567
Dist. restrs. and SS energy: 7.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2170.606137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.606137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.330441 (E_RNA)
where:
Base-Base interactions energy: -1541.045
where: short stacking energy: -621.495
Base-Backbone interact. energy: -3.179
local terms energy: -645.107102
where:
bonds (distance) C4'-P energy: -114.385
bonds (distance) P-C4' energy: -92.491
flat angles C4'-P-C4' energy: -156.012
flat angles P-C4'-P energy: -91.079
tors. eta vs tors. theta energy: -191.140
Dist. restrs. and SS energy: 18.724 (S_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: 136
Temperature: 1.300000
Total energy: -2005.204837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.204837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.476572 (E_RNA)
where:
Base-Base interactions energy: -1412.682
where: short stacking energy: -558.826
Base-Backbone interact. energy: -1.426
local terms energy: -612.369112
where:
bonds (distance) C4'-P energy: -110.565
bonds (distance) P-C4' energy: -113.426
flat angles C4'-P-C4' energy: -119.686
flat angles P-C4'-P energy: -91.165
tors. eta vs tors. theta energy: -177.528
Dist. restrs. and SS energy: 21.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1919.945504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.945504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.917720 (E_RNA)
where:
Base-Base interactions energy: -1356.588
where: short stacking energy: -540.963
Base-Backbone interact. energy: -1.982
local terms energy: -583.347771
where:
bonds (distance) C4'-P energy: -101.210
bonds (distance) P-C4' energy: -114.652
flat angles C4'-P-C4' energy: -122.388
flat angles P-C4'-P energy: -83.764
tors. eta vs tors. theta energy: -161.334
Dist. restrs. and SS energy: 21.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2706.338290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.338290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.793905 (E_RNA)
where:
Base-Base interactions energy: -1928.092
where: short stacking energy: -805.909
Base-Backbone interact. energy: -1.468
local terms energy: -790.234243
where:
bonds (distance) C4'-P energy: -125.754
bonds (distance) P-C4' energy: -144.754
flat angles C4'-P-C4' energy: -163.426
flat angles P-C4'-P energy: -113.944
tors. eta vs tors. theta energy: -242.356
Dist. restrs. and SS energy: 13.456 (S_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: 137
Temperature: 0.950000
Total energy: -2661.065282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.065282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.827238 (E_RNA)
where:
Base-Base interactions energy: -1882.599
where: short stacking energy: -771.706
Base-Backbone interact. energy: -3.934
local terms energy: -787.294938
where:
bonds (distance) C4'-P energy: -124.703
bonds (distance) P-C4' energy: -140.256
flat angles C4'-P-C4' energy: -158.825
flat angles P-C4'-P energy: -118.562
tors. eta vs tors. theta energy: -244.948
Dist. restrs. and SS energy: 12.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2627.561966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.561966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.822850 (E_RNA)
where:
Base-Base interactions energy: -1850.976
where: short stacking energy: -774.496
Base-Backbone interact. energy: -2.599
local terms energy: -786.247815
where:
bonds (distance) C4'-P energy: -121.193
bonds (distance) P-C4' energy: -143.381
flat angles C4'-P-C4' energy: -174.375
flat angles P-C4'-P energy: -103.787
tors. eta vs tors. theta energy: -243.511
Dist. restrs. and SS energy: 12.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2563.414090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.414090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.713679 (E_RNA)
where:
Base-Base interactions energy: -1817.138
where: short stacking energy: -734.096
Base-Backbone interact. energy: -1.187
local terms energy: -761.388763
where:
bonds (distance) C4'-P energy: -125.684
bonds (distance) P-C4' energy: -112.478
flat angles C4'-P-C4' energy: -165.326
flat angles P-C4'-P energy: -117.733
tors. eta vs tors. theta energy: -240.167
Dist. restrs. and SS energy: 16.300 (S_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: 137
Temperature: 1.100000
Total energy: -2456.256093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.256093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.660263 (E_RNA)
where:
Base-Base interactions energy: -1751.758
where: short stacking energy: -727.718
Base-Backbone interact. energy: -0.117
local terms energy: -717.784638
where:
bonds (distance) C4'-P energy: -123.145
bonds (distance) P-C4' energy: -127.139
flat angles C4'-P-C4' energy: -145.450
flat angles P-C4'-P energy: -102.028
tors. eta vs tors. theta energy: -220.023
Dist. restrs. and SS energy: 13.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2390.345851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.345851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.249205 (E_RNA)
where:
Base-Base interactions energy: -1693.446
where: short stacking energy: -684.200
Base-Backbone interact. energy: 2.536
local terms energy: -715.339334
where:
bonds (distance) C4'-P energy: -123.075
bonds (distance) P-C4' energy: -125.865
flat angles C4'-P-C4' energy: -149.911
flat angles P-C4'-P energy: -100.978
tors. eta vs tors. theta energy: -215.510
Dist. restrs. and SS energy: 15.903 (S_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: 137
Temperature: 1.200000
Total energy: -2274.690181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.690181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.853313 (E_RNA)
where:
Base-Base interactions energy: -1613.475
where: short stacking energy: -659.988
Base-Backbone interact. energy: 1.145
local terms energy: -672.523950
where:
bonds (distance) C4'-P energy: -122.223
bonds (distance) P-C4' energy: -123.908
flat angles C4'-P-C4' energy: -133.948
flat angles P-C4'-P energy: -92.811
tors. eta vs tors. theta energy: -199.634
Dist. restrs. and SS energy: 10.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2123.167023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.167023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.628204 (E_RNA)
where:
Base-Base interactions energy: -1522.709
where: short stacking energy: -622.487
Base-Backbone interact. energy: -0.727
local terms energy: -618.192327
where:
bonds (distance) C4'-P energy: -98.754
bonds (distance) P-C4' energy: -106.301
flat angles C4'-P-C4' energy: -137.987
flat angles P-C4'-P energy: -88.321
tors. eta vs tors. theta energy: -186.829
Dist. restrs. and SS energy: 18.461 (S_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: 137
Temperature: 1.300000
Total energy: -2025.378262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.378262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.990314 (E_RNA)
where:
Base-Base interactions energy: -1424.105
where: short stacking energy: -591.070
Base-Backbone interact. energy: 3.684
local terms energy: -626.569109
where:
bonds (distance) C4'-P energy: -111.006
bonds (distance) P-C4' energy: -111.187
flat angles C4'-P-C4' energy: -147.314
flat angles P-C4'-P energy: -81.478
tors. eta vs tors. theta energy: -175.584
Dist. restrs. and SS energy: 21.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1863.360584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.360584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.279040 (E_RNA)
where:
Base-Base interactions energy: -1299.879
where: short stacking energy: -522.583
Base-Backbone interact. energy: 4.675
local terms energy: -599.075093
where:
bonds (distance) C4'-P energy: -118.841
bonds (distance) P-C4' energy: -123.877
flat angles C4'-P-C4' energy: -115.734
flat angles P-C4'-P energy: -90.056
tors. eta vs tors. theta energy: -150.567
Dist. restrs. and SS energy: 30.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2723.089429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.089429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.072668 (E_RNA)
where:
Base-Base interactions energy: -1930.309
where: short stacking energy: -816.465
Base-Backbone interact. energy: -0.578
local terms energy: -801.185610
where:
bonds (distance) C4'-P energy: -129.833
bonds (distance) P-C4' energy: -141.242
flat angles C4'-P-C4' energy: -162.665
flat angles P-C4'-P energy: -115.253
tors. eta vs tors. theta energy: -252.193
Dist. restrs. and SS energy: 8.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2641.319865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.319865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.210752 (E_RNA)
where:
Base-Base interactions energy: -1888.121
where: short stacking energy: -786.224
Base-Backbone interact. energy: -1.089
local terms energy: -763.000879
where:
bonds (distance) C4'-P energy: -114.954
bonds (distance) P-C4' energy: -132.527
flat angles C4'-P-C4' energy: -170.654
flat angles P-C4'-P energy: -111.053
tors. eta vs tors. theta energy: -233.814
Dist. restrs. and SS energy: 10.891 (S_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: 138
Temperature: 1.000000
Total energy: -2618.410196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.410196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.137968 (E_RNA)
where:
Base-Base interactions energy: -1857.925
where: short stacking energy: -761.758
Base-Backbone interact. energy: 0.489
local terms energy: -773.701462
where:
bonds (distance) C4'-P energy: -123.303
bonds (distance) P-C4' energy: -146.727
flat angles C4'-P-C4' energy: -156.164
flat angles P-C4'-P energy: -116.433
tors. eta vs tors. theta energy: -231.074
Dist. restrs. and SS energy: 12.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2551.502215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.502215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.297668 (E_RNA)
where:
Base-Base interactions energy: -1806.451
where: short stacking energy: -750.825
Base-Backbone interact. energy: -2.346
local terms energy: -756.501188
where:
bonds (distance) C4'-P energy: -126.166
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -159.735
flat angles P-C4'-P energy: -111.802
tors. eta vs tors. theta energy: -241.060
Dist. restrs. and SS energy: 13.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2485.377038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.377038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.116971 (E_RNA)
where:
Base-Base interactions energy: -1759.067
where: short stacking energy: -707.210
Base-Backbone interact. energy: 1.984
local terms energy: -741.034058
where:
bonds (distance) C4'-P energy: -132.990
bonds (distance) P-C4' energy: -123.224
flat angles C4'-P-C4' energy: -163.153
flat angles P-C4'-P energy: -97.458
tors. eta vs tors. theta energy: -224.210
Dist. restrs. and SS energy: 12.740 (S_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: -2400.664255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.664255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.917050 (E_RNA)
where:
Base-Base interactions energy: -1695.074
where: short stacking energy: -699.830
Base-Backbone interact. energy: -2.527
local terms energy: -710.315947
where:
bonds (distance) C4'-P energy: -128.528
bonds (distance) P-C4' energy: -104.051
flat angles C4'-P-C4' energy: -152.232
flat angles P-C4'-P energy: -96.683
tors. eta vs tors. theta energy: -228.822
Dist. restrs. and SS energy: 7.253 (S_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: 138
Temperature: 1.200000
Total energy: -2249.521612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.521612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.921740 (E_RNA)
where:
Base-Base interactions energy: -1631.365
where: short stacking energy: -660.174
Base-Backbone interact. energy: 5.058
local terms energy: -631.614656
where:
bonds (distance) C4'-P energy: -93.746
bonds (distance) P-C4' energy: -119.747
flat angles C4'-P-C4' energy: -128.283
flat angles P-C4'-P energy: -83.501
tors. eta vs tors. theta energy: -206.338
Dist. restrs. and SS energy: 8.400 (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: 138
Temperature: 1.250000
Total energy: -2093.528102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.528102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.016767 (E_RNA)
where:
Base-Base interactions energy: -1468.926
where: short stacking energy: -587.146
Base-Backbone interact. energy: -1.525
local terms energy: -634.565466
where:
bonds (distance) C4'-P energy: -135.012
bonds (distance) P-C4' energy: -127.046
flat angles C4'-P-C4' energy: -131.221
flat angles P-C4'-P energy: -73.533
tors. eta vs tors. theta energy: -167.753
Dist. restrs. and SS energy: 11.489 (S_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: 138
Temperature: 1.300000
Total energy: -2058.652922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.652922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.283927 (E_RNA)
where:
Base-Base interactions energy: -1487.625
where: short stacking energy: -594.524
Base-Backbone interact. energy: 1.772
local terms energy: -591.431212
where:
bonds (distance) C4'-P energy: -96.291
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -123.733
flat angles P-C4'-P energy: -84.525
tors. eta vs tors. theta energy: -183.362
Dist. restrs. and SS energy: 18.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1920.166023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.166023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.338316 (E_RNA)
where:
Base-Base interactions energy: -1379.673
where: short stacking energy: -551.025
Base-Backbone interact. energy: -1.199
local terms energy: -570.467125
where:
bonds (distance) C4'-P energy: -111.997
bonds (distance) P-C4' energy: -111.273
flat angles C4'-P-C4' energy: -111.424
flat angles P-C4'-P energy: -75.558
tors. eta vs tors. theta energy: -160.217
Dist. restrs. and SS energy: 31.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2711.837398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.837398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.665688 (E_RNA)
where:
Base-Base interactions energy: -1889.607
where: short stacking energy: -779.545
Base-Backbone interact. energy: -4.017
local terms energy: -826.041644
where:
bonds (distance) C4'-P energy: -133.089
bonds (distance) P-C4' energy: -151.906
flat angles C4'-P-C4' energy: -173.270
flat angles P-C4'-P energy: -117.920
tors. eta vs tors. theta energy: -249.856
Dist. restrs. and SS energy: 7.828 (S_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: 139
Temperature: 0.950000
Total energy: -2657.174681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.174681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.630074 (E_RNA)
where:
Base-Base interactions energy: -1882.830
where: short stacking energy: -770.072
Base-Backbone interact. energy: -3.687
local terms energy: -783.113503
where:
bonds (distance) C4'-P energy: -137.780
bonds (distance) P-C4' energy: -136.388
flat angles C4'-P-C4' energy: -165.435
flat angles P-C4'-P energy: -108.854
tors. eta vs tors. theta energy: -234.656
Dist. restrs. and SS energy: 12.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2618.648334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.648334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.080276 (E_RNA)
where:
Base-Base interactions energy: -1849.141
where: short stacking energy: -759.185
Base-Backbone interact. energy: 3.153
local terms energy: -784.091699
where:
bonds (distance) C4'-P energy: -134.817
bonds (distance) P-C4' energy: -139.829
flat angles C4'-P-C4' energy: -161.546
flat angles P-C4'-P energy: -109.321
tors. eta vs tors. theta energy: -238.579
Dist. restrs. and SS energy: 11.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2531.812317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.812317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.185479 (E_RNA)
where:
Base-Base interactions energy: -1788.798
where: short stacking energy: -707.986
Base-Backbone interact. energy: -2.706
local terms energy: -748.681954
where:
bonds (distance) C4'-P energy: -133.800
bonds (distance) P-C4' energy: -133.868
flat angles C4'-P-C4' energy: -154.082
flat angles P-C4'-P energy: -103.077
tors. eta vs tors. theta energy: -223.854
Dist. restrs. and SS energy: 8.373 (S_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: 139
Temperature: 1.100000
Total energy: -2504.324760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.324760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.872687 (E_RNA)
where:
Base-Base interactions energy: -1764.648
where: short stacking energy: -712.316
Base-Backbone interact. energy: -0.004
local terms energy: -748.220606
where:
bonds (distance) C4'-P energy: -137.188
bonds (distance) P-C4' energy: -121.353
flat angles C4'-P-C4' energy: -150.148
flat angles P-C4'-P energy: -107.818
tors. eta vs tors. theta energy: -231.713
Dist. restrs. and SS energy: 8.548 (S_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: 139
Temperature: 1.150000
Total energy: -2428.955762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.955762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.793611 (E_RNA)
where:
Base-Base interactions energy: -1718.652
where: short stacking energy: -687.068
Base-Backbone interact. energy: -2.261
local terms energy: -717.881172
where:
bonds (distance) C4'-P energy: -120.917
bonds (distance) P-C4' energy: -123.495
flat angles C4'-P-C4' energy: -157.421
flat angles P-C4'-P energy: -90.252
tors. eta vs tors. theta energy: -225.797
Dist. restrs. and SS energy: 9.838 (S_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: 139
Temperature: 1.200000
Total energy: -2256.088588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.088588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.401326 (E_RNA)
where:
Base-Base interactions energy: -1619.263
where: short stacking energy: -648.580
Base-Backbone interact. energy: -2.326
local terms energy: -643.812416
where:
bonds (distance) C4'-P energy: -111.038
bonds (distance) P-C4' energy: -104.104
flat angles C4'-P-C4' energy: -142.079
flat angles P-C4'-P energy: -92.325
tors. eta vs tors. theta energy: -194.267
Dist. restrs. and SS energy: 9.313 (S_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: 139
Temperature: 1.250000
Total energy: -2061.020838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.020838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.279098 (E_RNA)
where:
Base-Base interactions energy: -1475.034
where: short stacking energy: -596.266
Base-Backbone interact. energy: -1.780
local terms energy: -599.465118
where:
bonds (distance) C4'-P energy: -95.108
bonds (distance) P-C4' energy: -94.324
flat angles C4'-P-C4' energy: -134.130
flat angles P-C4'-P energy: -94.326
tors. eta vs tors. theta energy: -181.578
Dist. restrs. and SS energy: 15.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -2029.640408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.640408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.453438 (E_RNA)
where:
Base-Base interactions energy: -1449.927
where: short stacking energy: -601.828
Base-Backbone interact. energy: -2.135
local terms energy: -592.392152
where:
bonds (distance) C4'-P energy: -98.660
bonds (distance) P-C4' energy: -112.904
flat angles C4'-P-C4' energy: -117.369
flat angles P-C4'-P energy: -78.620
tors. eta vs tors. theta energy: -184.840
Dist. restrs. and SS energy: 14.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1952.798982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.798982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.294474 (E_RNA)
where:
Base-Base interactions energy: -1412.276
where: short stacking energy: -583.832
Base-Backbone interact. energy: -1.013
local terms energy: -561.005266
where:
bonds (distance) C4'-P energy: -92.676
bonds (distance) P-C4' energy: -90.243
flat angles C4'-P-C4' energy: -136.780
flat angles P-C4'-P energy: -72.787
tors. eta vs tors. theta energy: -168.519
Dist. restrs. and SS energy: 21.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2720.449302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.449302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.195978 (E_RNA)
where:
Base-Base interactions energy: -1906.544
where: short stacking energy: -793.511
Base-Backbone interact. energy: -2.406
local terms energy: -818.245606
where:
bonds (distance) C4'-P energy: -132.813
bonds (distance) P-C4' energy: -153.915
flat angles C4'-P-C4' energy: -168.142
flat angles P-C4'-P energy: -112.763
tors. eta vs tors. theta energy: -250.613
Dist. restrs. and SS energy: 6.747 (S_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: 140
Temperature: 0.950000
Total energy: -2672.254133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.254133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.670589 (E_RNA)
where:
Base-Base interactions energy: -1896.727
where: short stacking energy: -781.936
Base-Backbone interact. energy: -2.363
local terms energy: -786.581044
where:
bonds (distance) C4'-P energy: -147.866
bonds (distance) P-C4' energy: -133.818
flat angles C4'-P-C4' energy: -166.012
flat angles P-C4'-P energy: -103.729
tors. eta vs tors. theta energy: -235.157
Dist. restrs. and SS energy: 13.416 (S_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: 140
Temperature: 1.000000
Total energy: -2624.850053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.850053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.792421 (E_RNA)
where:
Base-Base interactions energy: -1849.588
where: short stacking energy: -755.792
Base-Backbone interact. energy: -2.084
local terms energy: -787.120086
where:
bonds (distance) C4'-P energy: -141.583
bonds (distance) P-C4' energy: -137.369
flat angles C4'-P-C4' energy: -155.953
flat angles P-C4'-P energy: -111.018
tors. eta vs tors. theta energy: -241.198
Dist. restrs. and SS energy: 13.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2555.606917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.606917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.997355 (E_RNA)
where:
Base-Base interactions energy: -1803.038
where: short stacking energy: -749.289
Base-Backbone interact. energy: -1.458
local terms energy: -765.501659
where:
bonds (distance) C4'-P energy: -123.284
bonds (distance) P-C4' energy: -131.413
flat angles C4'-P-C4' energy: -156.891
flat angles P-C4'-P energy: -114.565
tors. eta vs tors. theta energy: -239.348
Dist. restrs. and SS energy: 14.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2506.048050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.048050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.081250 (E_RNA)
where:
Base-Base interactions energy: -1783.811
where: short stacking energy: -735.525
Base-Backbone interact. energy: 1.054
local terms energy: -737.323473
where:
bonds (distance) C4'-P energy: -127.130
bonds (distance) P-C4' energy: -129.804
flat angles C4'-P-C4' energy: -161.113
flat angles P-C4'-P energy: -90.760
tors. eta vs tors. theta energy: -228.517
Dist. restrs. and SS energy: 14.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2399.019964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.019964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.704472 (E_RNA)
where:
Base-Base interactions energy: -1696.880
where: short stacking energy: -704.623
Base-Backbone interact. energy: 1.047
local terms energy: -715.871555
where:
bonds (distance) C4'-P energy: -113.043
bonds (distance) P-C4' energy: -123.292
flat angles C4'-P-C4' energy: -142.654
flat angles P-C4'-P energy: -114.989
tors. eta vs tors. theta energy: -221.895
Dist. restrs. and SS energy: 12.685 (S_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: 140
Temperature: 1.200000
Total energy: -2241.480492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.480492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.857297 (E_RNA)
where:
Base-Base interactions energy: -1616.170
where: short stacking energy: -646.535
Base-Backbone interact. energy: -4.223
local terms energy: -631.464762
where:
bonds (distance) C4'-P energy: -107.686
bonds (distance) P-C4' energy: -117.970
flat angles C4'-P-C4' energy: -123.395
flat angles P-C4'-P energy: -87.665
tors. eta vs tors. theta energy: -194.749
Dist. restrs. and SS energy: 10.377 (S_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: 140
Temperature: 1.250000
Total energy: -2084.333465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.333465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.596340 (E_RNA)
where:
Base-Base interactions energy: -1473.986
where: short stacking energy: -593.331
Base-Backbone interact. energy: 3.874
local terms energy: -632.483871
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -101.333
flat angles C4'-P-C4' energy: -131.192
flat angles P-C4'-P energy: -102.900
tors. eta vs tors. theta energy: -180.608
Dist. restrs. and SS energy: 18.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -2080.048760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.048760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.976212 (E_RNA)
where:
Base-Base interactions energy: -1495.452
where: short stacking energy: -595.115
Base-Backbone interact. energy: -0.955
local terms energy: -597.569396
where:
bonds (distance) C4'-P energy: -85.631
bonds (distance) P-C4' energy: -117.648
flat angles C4'-P-C4' energy: -128.393
flat angles P-C4'-P energy: -95.358
tors. eta vs tors. theta energy: -170.539
Dist. restrs. and SS energy: 13.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1992.132776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.132776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.968233 (E_RNA)
where:
Base-Base interactions energy: -1424.237
where: short stacking energy: -562.136
Base-Backbone interact. energy: -2.105
local terms energy: -581.625578
where:
bonds (distance) C4'-P energy: -106.130
bonds (distance) P-C4' energy: -110.217
flat angles C4'-P-C4' energy: -123.359
flat angles P-C4'-P energy: -67.748
tors. eta vs tors. theta energy: -174.171
Dist. restrs. and SS energy: 15.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2732.324382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.324382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.022464 (E_RNA)
where:
Base-Base interactions energy: -1912.203
where: short stacking energy: -794.173
Base-Backbone interact. energy: -1.680
local terms energy: -824.139335
where:
bonds (distance) C4'-P energy: -141.956
bonds (distance) P-C4' energy: -141.719
flat angles C4'-P-C4' energy: -180.502
flat angles P-C4'-P energy: -112.172
tors. eta vs tors. theta energy: -247.790
Dist. restrs. and SS energy: 5.698 (S_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: 141
Temperature: 0.950000
Total energy: -2671.113361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.113361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.994289 (E_RNA)
where:
Base-Base interactions energy: -1877.588
where: short stacking energy: -785.632
Base-Backbone interact. energy: -2.804
local terms energy: -805.602126
where:
bonds (distance) C4'-P energy: -143.995
bonds (distance) P-C4' energy: -145.606
flat angles C4'-P-C4' energy: -161.894
flat angles P-C4'-P energy: -109.313
tors. eta vs tors. theta energy: -244.795
Dist. restrs. and SS energy: 14.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2602.477831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.477831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.628123 (E_RNA)
where:
Base-Base interactions energy: -1849.482
where: short stacking energy: -752.057
Base-Backbone interact. energy: -1.876
local terms energy: -764.270072
where:
bonds (distance) C4'-P energy: -139.471
bonds (distance) P-C4' energy: -114.325
flat angles C4'-P-C4' energy: -160.630
flat angles P-C4'-P energy: -108.049
tors. eta vs tors. theta energy: -241.795
Dist. restrs. and SS energy: 13.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2531.289229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.289229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.413675 (E_RNA)
where:
Base-Base interactions energy: -1795.378
where: short stacking energy: -742.397
Base-Backbone interact. energy: -1.925
local terms energy: -744.110202
where:
bonds (distance) C4'-P energy: -108.417
bonds (distance) P-C4' energy: -134.510
flat angles C4'-P-C4' energy: -159.589
flat angles P-C4'-P energy: -106.754
tors. eta vs tors. theta energy: -234.840
Dist. restrs. and SS energy: 10.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2513.994568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.994568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.764141 (E_RNA)
where:
Base-Base interactions energy: -1794.501
where: short stacking energy: -723.553
Base-Backbone interact. energy: 2.905
local terms energy: -734.167880
where:
bonds (distance) C4'-P energy: -126.528
bonds (distance) P-C4' energy: -131.511
flat angles C4'-P-C4' energy: -152.691
flat angles P-C4'-P energy: -108.778
tors. eta vs tors. theta energy: -214.661
Dist. restrs. and SS energy: 11.770 (S_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: 141
Temperature: 1.150000
Total energy: -2422.946456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.946456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.591236 (E_RNA)
where:
Base-Base interactions energy: -1729.987
where: short stacking energy: -712.874
Base-Backbone interact. energy: -1.960
local terms energy: -701.643959
where:
bonds (distance) C4'-P energy: -109.275
bonds (distance) P-C4' energy: -130.525
flat angles C4'-P-C4' energy: -138.423
flat angles P-C4'-P energy: -95.038
tors. eta vs tors. theta energy: -228.384
Dist. restrs. and SS energy: 10.645 (S_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: 141
Temperature: 1.200000
Total energy: -2276.720032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.720032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.392155 (E_RNA)
where:
Base-Base interactions energy: -1639.789
where: short stacking energy: -684.868
Base-Backbone interact. energy: -1.962
local terms energy: -645.641385
where:
bonds (distance) C4'-P energy: -100.050
bonds (distance) P-C4' energy: -123.990
flat angles C4'-P-C4' energy: -128.887
flat angles P-C4'-P energy: -80.480
tors. eta vs tors. theta energy: -212.235
Dist. restrs. and SS energy: 10.672 (S_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: 141
Temperature: 1.250000
Total energy: -2105.339574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.339574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.688231 (E_RNA)
where:
Base-Base interactions energy: -1488.867
where: short stacking energy: -592.236
Base-Backbone interact. energy: -2.309
local terms energy: -635.513128
where:
bonds (distance) C4'-P energy: -106.424
bonds (distance) P-C4' energy: -117.280
flat angles C4'-P-C4' energy: -142.971
flat angles P-C4'-P energy: -92.756
tors. eta vs tors. theta energy: -176.082
Dist. restrs. and SS energy: 21.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -2138.181018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.181018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.747819 (E_RNA)
where:
Base-Base interactions energy: -1532.345
where: short stacking energy: -601.112
Base-Backbone interact. energy: -1.587
local terms energy: -616.815906
where:
bonds (distance) C4'-P energy: -83.947
bonds (distance) P-C4' energy: -115.977
flat angles C4'-P-C4' energy: -143.161
flat angles P-C4'-P energy: -94.396
tors. eta vs tors. theta energy: -179.335
Dist. restrs. and SS energy: 12.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1936.649864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.649864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.059745 (E_RNA)
where:
Base-Base interactions energy: -1359.855
where: short stacking energy: -559.484
Base-Backbone interact. energy: -0.958
local terms energy: -600.247003
where:
bonds (distance) C4'-P energy: -92.592
bonds (distance) P-C4' energy: -123.013
flat angles C4'-P-C4' energy: -130.651
flat angles P-C4'-P energy: -86.905
tors. eta vs tors. theta energy: -167.085
Dist. restrs. and SS energy: 24.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2741.915409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.915409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.736729 (E_RNA)
where:
Base-Base interactions energy: -1923.292
where: short stacking energy: -793.408
Base-Backbone interact. energy: -2.090
local terms energy: -819.354548
where:
bonds (distance) C4'-P energy: -141.755
bonds (distance) P-C4' energy: -131.489
flat angles C4'-P-C4' energy: -169.320
flat angles P-C4'-P energy: -121.211
tors. eta vs tors. theta energy: -255.580
Dist. restrs. and SS energy: 2.821 (S_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: 142
Temperature: 0.950000
Total energy: -2653.001858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.001858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.493933 (E_RNA)
where:
Base-Base interactions energy: -1883.014
where: short stacking energy: -757.780
Base-Backbone interact. energy: -0.233
local terms energy: -781.246304
where:
bonds (distance) C4'-P energy: -130.611
bonds (distance) P-C4' energy: -130.652
flat angles C4'-P-C4' energy: -169.130
flat angles P-C4'-P energy: -109.153
tors. eta vs tors. theta energy: -241.700
Dist. restrs. and SS energy: 11.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2590.898468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.898468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.166883 (E_RNA)
where:
Base-Base interactions energy: -1826.141
where: short stacking energy: -773.967
Base-Backbone interact. energy: 2.008
local terms energy: -781.033831
where:
bonds (distance) C4'-P energy: -129.099
bonds (distance) P-C4' energy: -144.887
flat angles C4'-P-C4' energy: -155.120
flat angles P-C4'-P energy: -116.093
tors. eta vs tors. theta energy: -235.834
Dist. restrs. and SS energy: 14.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2533.051604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.051604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.651695 (E_RNA)
where:
Base-Base interactions energy: -1803.734
where: short stacking energy: -738.284
Base-Backbone interact. energy: 2.828
local terms energy: -743.745480
where:
bonds (distance) C4'-P energy: -127.247
bonds (distance) P-C4' energy: -143.034
flat angles C4'-P-C4' energy: -145.680
flat angles P-C4'-P energy: -95.938
tors. eta vs tors. theta energy: -231.847
Dist. restrs. and SS energy: 11.600 (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: 142
Temperature: 1.100000
Total energy: -2502.827964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.827964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.245832 (E_RNA)
where:
Base-Base interactions energy: -1768.982
where: short stacking energy: -726.801
Base-Backbone interact. energy: -1.394
local terms energy: -745.870517
where:
bonds (distance) C4'-P energy: -123.899
bonds (distance) P-C4' energy: -135.916
flat angles C4'-P-C4' energy: -151.287
flat angles P-C4'-P energy: -102.400
tors. eta vs tors. theta energy: -232.369
Dist. restrs. and SS energy: 13.418 (S_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: 142
Temperature: 1.150000
Total energy: -2374.619250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.619250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.664310 (E_RNA)
where:
Base-Base interactions energy: -1647.424
where: short stacking energy: -685.239
Base-Backbone interact. energy: -1.553
local terms energy: -734.687876
where:
bonds (distance) C4'-P energy: -124.631
bonds (distance) P-C4' energy: -132.155
flat angles C4'-P-C4' energy: -159.607
flat angles P-C4'-P energy: -99.134
tors. eta vs tors. theta energy: -219.160
Dist. restrs. and SS energy: 9.045 (S_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: 142
Temperature: 1.200000
Total energy: -2301.260281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.260281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.917819 (E_RNA)
where:
Base-Base interactions energy: -1673.964
where: short stacking energy: -679.281
Base-Backbone interact. energy: -1.827
local terms energy: -644.125920
where:
bonds (distance) C4'-P energy: -106.137
bonds (distance) P-C4' energy: -111.998
flat angles C4'-P-C4' energy: -130.497
flat angles P-C4'-P energy: -92.372
tors. eta vs tors. theta energy: -203.122
Dist. restrs. and SS energy: 18.658 (S_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: 142
Temperature: 1.250000
Total energy: -2094.437067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.437067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.911080 (E_RNA)
where:
Base-Base interactions energy: -1500.356
where: short stacking energy: -592.957
Base-Backbone interact. energy: -3.609
local terms energy: -609.945915
where:
bonds (distance) C4'-P energy: -112.729
bonds (distance) P-C4' energy: -109.579
flat angles C4'-P-C4' energy: -138.315
flat angles P-C4'-P energy: -83.264
tors. eta vs tors. theta energy: -166.059
Dist. restrs. and SS energy: 19.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -2061.750483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.750483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.603592 (E_RNA)
where:
Base-Base interactions energy: -1478.726
where: short stacking energy: -585.347
Base-Backbone interact. energy: -0.942
local terms energy: -597.935350
where:
bonds (distance) C4'-P energy: -91.383
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -138.009
flat angles P-C4'-P energy: -81.098
tors. eta vs tors. theta energy: -170.214
Dist. restrs. and SS energy: 15.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1960.585092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.585092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.628083 (E_RNA)
where:
Base-Base interactions energy: -1410.538
where: short stacking energy: -543.533
Base-Backbone interact. energy: -1.118
local terms energy: -573.971563
where:
bonds (distance) C4'-P energy: -87.119
bonds (distance) P-C4' energy: -134.813
flat angles C4'-P-C4' energy: -122.587
flat angles P-C4'-P energy: -84.276
tors. eta vs tors. theta energy: -145.177
Dist. restrs. and SS energy: 25.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2739.769431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.769431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.821132 (E_RNA)
where:
Base-Base interactions energy: -1931.179
where: short stacking energy: -795.872
Base-Backbone interact. energy: -2.360
local terms energy: -811.282573
where:
bonds (distance) C4'-P energy: -139.120
bonds (distance) P-C4' energy: -137.906
flat angles C4'-P-C4' energy: -168.564
flat angles P-C4'-P energy: -118.854
tors. eta vs tors. theta energy: -246.839
Dist. restrs. and SS energy: 5.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2647.149991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.149991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.949334 (E_RNA)
where:
Base-Base interactions energy: -1885.379
where: short stacking energy: -770.293
Base-Backbone interact. energy: -1.890
local terms energy: -771.680194
where:
bonds (distance) C4'-P energy: -134.855
bonds (distance) P-C4' energy: -134.142
flat angles C4'-P-C4' energy: -158.239
flat angles P-C4'-P energy: -105.574
tors. eta vs tors. theta energy: -238.871
Dist. restrs. and SS energy: 11.799 (S_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: 143
Temperature: 1.000000
Total energy: -2631.555534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.555534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.850906 (E_RNA)
where:
Base-Base interactions energy: -1860.104
where: short stacking energy: -778.474
Base-Backbone interact. energy: -0.704
local terms energy: -778.043486
where:
bonds (distance) C4'-P energy: -120.621
bonds (distance) P-C4' energy: -142.322
flat angles C4'-P-C4' energy: -163.596
flat angles P-C4'-P energy: -106.881
tors. eta vs tors. theta energy: -244.624
Dist. restrs. and SS energy: 7.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2557.232137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.232137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.539620 (E_RNA)
where:
Base-Base interactions energy: -1806.198
where: short stacking energy: -728.527
Base-Backbone interact. energy: 0.997
local terms energy: -764.338695
where:
bonds (distance) C4'-P energy: -126.015
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -154.623
flat angles P-C4'-P energy: -117.237
tors. eta vs tors. theta energy: -233.052
Dist. restrs. and SS energy: 12.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2485.656016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.656016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.353737 (E_RNA)
where:
Base-Base interactions energy: -1770.806
where: short stacking energy: -713.298
Base-Backbone interact. energy: 0.629
local terms energy: -730.176723
where:
bonds (distance) C4'-P energy: -130.962
bonds (distance) P-C4' energy: -127.375
flat angles C4'-P-C4' energy: -145.736
flat angles P-C4'-P energy: -99.958
tors. eta vs tors. theta energy: -226.145
Dist. restrs. and SS energy: 14.698 (S_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: 143
Temperature: 1.150000
Total energy: -2432.255051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.255051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.346524 (E_RNA)
where:
Base-Base interactions energy: -1723.427
where: short stacking energy: -706.401
Base-Backbone interact. energy: -2.722
local terms energy: -710.197579
where:
bonds (distance) C4'-P energy: -116.660
bonds (distance) P-C4' energy: -125.595
flat angles C4'-P-C4' energy: -149.978
flat angles P-C4'-P energy: -98.002
tors. eta vs tors. theta energy: -219.963
Dist. restrs. and SS energy: 4.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2320.926176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.926176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.849167 (E_RNA)
where:
Base-Base interactions energy: -1648.190
where: short stacking energy: -683.964
Base-Backbone interact. energy: 0.915
local terms energy: -688.574076
where:
bonds (distance) C4'-P energy: -114.824
bonds (distance) P-C4' energy: -120.290
flat angles C4'-P-C4' energy: -139.589
flat angles P-C4'-P energy: -95.956
tors. eta vs tors. theta energy: -217.914
Dist. restrs. and SS energy: 14.923 (S_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: 143
Temperature: 1.250000
Total energy: -2130.962471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.962471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.474993 (E_RNA)
where:
Base-Base interactions energy: -1516.842
where: short stacking energy: -619.295
Base-Backbone interact. energy: -2.486
local terms energy: -632.147146
where:
bonds (distance) C4'-P energy: -116.125
bonds (distance) P-C4' energy: -103.524
flat angles C4'-P-C4' energy: -138.106
flat angles P-C4'-P energy: -90.401
tors. eta vs tors. theta energy: -183.990
Dist. restrs. and SS energy: 20.513 (S_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: 143
Temperature: 1.300000
Total energy: -2056.914094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.914094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.510730 (E_RNA)
where:
Base-Base interactions energy: -1451.493
where: short stacking energy: -594.071
Base-Backbone interact. energy: 5.621
local terms energy: -631.638683
where:
bonds (distance) C4'-P energy: -109.128
bonds (distance) P-C4' energy: -113.013
flat angles C4'-P-C4' energy: -139.198
flat angles P-C4'-P energy: -81.687
tors. eta vs tors. theta energy: -188.612
Dist. restrs. and SS energy: 20.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1937.108476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.108476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.839097 (E_RNA)
where:
Base-Base interactions energy: -1355.680
where: short stacking energy: -516.981
Base-Backbone interact. energy: -3.401
local terms energy: -602.758314
where:
bonds (distance) C4'-P energy: -114.531
bonds (distance) P-C4' energy: -115.054
flat angles C4'-P-C4' energy: -117.712
flat angles P-C4'-P energy: -101.684
tors. eta vs tors. theta energy: -153.778
Dist. restrs. and SS energy: 24.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2746.699269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.699269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.386210 (E_RNA)
where:
Base-Base interactions energy: -1905.141
where: short stacking energy: -785.837
Base-Backbone interact. energy: -3.104
local terms energy: -841.140741
where:
bonds (distance) C4'-P energy: -150.684
bonds (distance) P-C4' energy: -139.534
flat angles C4'-P-C4' energy: -175.569
flat angles P-C4'-P energy: -121.332
tors. eta vs tors. theta energy: -254.022
Dist. restrs. and SS energy: 2.687 (S_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: 144
Temperature: 0.950000
Total energy: -2689.262108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.262108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.759024 (E_RNA)
where:
Base-Base interactions energy: -1906.194
where: short stacking energy: -782.130
Base-Backbone interact. energy: -3.215
local terms energy: -791.350632
where:
bonds (distance) C4'-P energy: -132.833
bonds (distance) P-C4' energy: -141.850
flat angles C4'-P-C4' energy: -164.821
flat angles P-C4'-P energy: -109.012
tors. eta vs tors. theta energy: -242.834
Dist. restrs. and SS energy: 11.497 (S_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: 144
Temperature: 1.000000
Total energy: -2617.577174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.577174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.579204 (E_RNA)
where:
Base-Base interactions energy: -1844.702
where: short stacking energy: -769.805
Base-Backbone interact. energy: -1.455
local terms energy: -782.422860
where:
bonds (distance) C4'-P energy: -140.983
bonds (distance) P-C4' energy: -134.026
flat angles C4'-P-C4' energy: -154.546
flat angles P-C4'-P energy: -110.780
tors. eta vs tors. theta energy: -242.088
Dist. restrs. and SS energy: 11.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2556.797000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.797000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.262856 (E_RNA)
where:
Base-Base interactions energy: -1821.191
where: short stacking energy: -743.610
Base-Backbone interact. energy: 0.801
local terms energy: -747.872884
where:
bonds (distance) C4'-P energy: -128.088
bonds (distance) P-C4' energy: -127.020
flat angles C4'-P-C4' energy: -150.525
flat angles P-C4'-P energy: -109.691
tors. eta vs tors. theta energy: -232.548
Dist. restrs. and SS energy: 11.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2519.448277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.448277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.290608 (E_RNA)
where:
Base-Base interactions energy: -1809.901
where: short stacking energy: -714.298
Base-Backbone interact. energy: 1.961
local terms energy: -724.349721
where:
bonds (distance) C4'-P energy: -117.412
bonds (distance) P-C4' energy: -119.849
flat angles C4'-P-C4' energy: -156.215
flat angles P-C4'-P energy: -104.305
tors. eta vs tors. theta energy: -226.568
Dist. restrs. and SS energy: 12.842 (S_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: 144
Temperature: 1.150000
Total energy: -2377.580961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.580961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.518759 (E_RNA)
where:
Base-Base interactions energy: -1694.315
where: short stacking energy: -691.880
Base-Backbone interact. energy: -0.907
local terms energy: -690.296886
where:
bonds (distance) C4'-P energy: -118.223
bonds (distance) P-C4' energy: -127.480
flat angles C4'-P-C4' energy: -131.500
flat angles P-C4'-P energy: -99.988
tors. eta vs tors. theta energy: -213.106
Dist. restrs. and SS energy: 7.938 (S_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: 144
Temperature: 1.200000
Total energy: -2328.097649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.097649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.374085 (E_RNA)
where:
Base-Base interactions energy: -1676.091
where: short stacking energy: -678.463
Base-Backbone interact. energy: -0.896
local terms energy: -667.387766
where:
bonds (distance) C4'-P energy: -100.268
bonds (distance) P-C4' energy: -116.938
flat angles C4'-P-C4' energy: -142.293
flat angles P-C4'-P energy: -87.755
tors. eta vs tors. theta energy: -220.134
Dist. restrs. and SS energy: 16.276 (S_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: 144
Temperature: 1.250000
Total energy: -2116.111476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.111476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.179752 (E_RNA)
where:
Base-Base interactions energy: -1493.501
where: short stacking energy: -606.107
Base-Backbone interact. energy: -2.918
local terms energy: -633.760445
where:
bonds (distance) C4'-P energy: -103.953
bonds (distance) P-C4' energy: -128.049
flat angles C4'-P-C4' energy: -131.774
flat angles P-C4'-P energy: -84.306
tors. eta vs tors. theta energy: -185.678
Dist. restrs. and SS energy: 14.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -2075.639258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.639258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.343321 (E_RNA)
where:
Base-Base interactions energy: -1480.356
where: short stacking energy: -583.014
Base-Backbone interact. energy: -2.397
local terms energy: -605.589902
where:
bonds (distance) C4'-P energy: -109.735
bonds (distance) P-C4' energy: -114.206
flat angles C4'-P-C4' energy: -125.783
flat angles P-C4'-P energy: -80.941
tors. eta vs tors. theta energy: -174.925
Dist. restrs. and SS energy: 12.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1957.812438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.812438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.688897 (E_RNA)
where:
Base-Base interactions energy: -1400.375
where: short stacking energy: -594.074
Base-Backbone interact. energy: -3.206
local terms energy: -569.108147
where:
bonds (distance) C4'-P energy: -108.061
bonds (distance) P-C4' energy: -97.243
flat angles C4'-P-C4' energy: -126.314
flat angles P-C4'-P energy: -57.547
tors. eta vs tors. theta energy: -179.943
Dist. restrs. and SS energy: 14.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2743.553762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.553762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.214652 (E_RNA)
where:
Base-Base interactions energy: -1903.595
where: short stacking energy: -779.008
Base-Backbone interact. energy: -1.451
local terms energy: -841.168767
where:
bonds (distance) C4'-P energy: -148.334
bonds (distance) P-C4' energy: -160.737
flat angles C4'-P-C4' energy: -167.885
flat angles P-C4'-P energy: -116.216
tors. eta vs tors. theta energy: -247.996
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2677.054613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.054613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.933964 (E_RNA)
where:
Base-Base interactions energy: -1875.550
where: short stacking energy: -772.226
Base-Backbone interact. energy: -4.717
local terms energy: -810.666551
where:
bonds (distance) C4'-P energy: -135.822
bonds (distance) P-C4' energy: -144.854
flat angles C4'-P-C4' energy: -170.906
flat angles P-C4'-P energy: -117.486
tors. eta vs tors. theta energy: -241.600
Dist. restrs. and SS energy: 13.879 (S_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: 145
Temperature: 1.000000
Total energy: -2627.206742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.206742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.497322 (E_RNA)
where:
Base-Base interactions energy: -1839.866
where: short stacking energy: -772.639
Base-Backbone interact. energy: -1.530
local terms energy: -797.102256
where:
bonds (distance) C4'-P energy: -133.534
bonds (distance) P-C4' energy: -147.407
flat angles C4'-P-C4' energy: -162.304
flat angles P-C4'-P energy: -112.605
tors. eta vs tors. theta energy: -241.253
Dist. restrs. and SS energy: 11.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2554.991399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.991399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.913417 (E_RNA)
where:
Base-Base interactions energy: -1786.746
where: short stacking energy: -732.076
Base-Backbone interact. energy: -1.311
local terms energy: -776.856420
where:
bonds (distance) C4'-P energy: -133.159
bonds (distance) P-C4' energy: -128.645
flat angles C4'-P-C4' energy: -170.424
flat angles P-C4'-P energy: -110.362
tors. eta vs tors. theta energy: -234.266
Dist. restrs. and SS energy: 9.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2480.300925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.300925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.316483 (E_RNA)
where:
Base-Base interactions energy: -1759.467
where: short stacking energy: -719.161
Base-Backbone interact. energy: -1.826
local terms energy: -728.023383
where:
bonds (distance) C4'-P energy: -133.709
bonds (distance) P-C4' energy: -129.159
flat angles C4'-P-C4' energy: -146.514
flat angles P-C4'-P energy: -90.474
tors. eta vs tors. theta energy: -228.168
Dist. restrs. and SS energy: 9.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2393.929770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.929770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.485716 (E_RNA)
where:
Base-Base interactions energy: -1704.703
where: short stacking energy: -708.487
Base-Backbone interact. energy: -2.014
local terms energy: -702.768254
where:
bonds (distance) C4'-P energy: -110.252
bonds (distance) P-C4' energy: -124.017
flat angles C4'-P-C4' energy: -144.626
flat angles P-C4'-P energy: -94.890
tors. eta vs tors. theta energy: -228.984
Dist. restrs. and SS energy: 15.556 (S_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: 145
Temperature: 1.200000
Total energy: -2323.116872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.116872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.505310 (E_RNA)
where:
Base-Base interactions energy: -1652.095
where: short stacking energy: -682.372
Base-Backbone interact. energy: -1.536
local terms energy: -686.874336
where:
bonds (distance) C4'-P energy: -115.396
bonds (distance) P-C4' energy: -126.633
flat angles C4'-P-C4' energy: -144.380
flat angles P-C4'-P energy: -87.814
tors. eta vs tors. theta energy: -212.652
Dist. restrs. and SS energy: 17.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2183.259069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.259069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.023950 (E_RNA)
where:
Base-Base interactions energy: -1534.317
where: short stacking energy: -656.770
Base-Backbone interact. energy: -5.027
local terms energy: -664.679361
where:
bonds (distance) C4'-P energy: -120.932
bonds (distance) P-C4' energy: -102.411
flat angles C4'-P-C4' energy: -144.167
flat angles P-C4'-P energy: -99.571
tors. eta vs tors. theta energy: -197.598
Dist. restrs. and SS energy: 20.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -2070.118935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.118935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.845772 (E_RNA)
where:
Base-Base interactions energy: -1502.611
where: short stacking energy: -588.718
Base-Backbone interact. energy: -3.198
local terms energy: -583.036619
where:
bonds (distance) C4'-P energy: -106.600
bonds (distance) P-C4' energy: -115.185
flat angles C4'-P-C4' energy: -105.733
flat angles P-C4'-P energy: -90.321
tors. eta vs tors. theta energy: -165.197
Dist. restrs. and SS energy: 18.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1976.430325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.430325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.896829 (E_RNA)
where:
Base-Base interactions energy: -1432.527
where: short stacking energy: -575.152
Base-Backbone interact. energy: 6.868
local terms energy: -571.237708
where:
bonds (distance) C4'-P energy: -109.978
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -115.641
flat angles P-C4'-P energy: -70.360
tors. eta vs tors. theta energy: -179.183
Dist. restrs. and SS energy: 20.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2728.548347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.548347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.012386 (E_RNA)
where:
Base-Base interactions energy: -1931.256
where: short stacking energy: -783.229
Base-Backbone interact. energy: -2.377
local terms energy: -798.379869
where:
bonds (distance) C4'-P energy: -130.016
bonds (distance) P-C4' energy: -142.136
flat angles C4'-P-C4' energy: -158.469
flat angles P-C4'-P energy: -123.514
tors. eta vs tors. theta energy: -244.245
Dist. restrs. and SS energy: 3.464 (S_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: 146
Temperature: 0.950000
Total energy: -2674.052101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.052101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.901786 (E_RNA)
where:
Base-Base interactions energy: -1894.352
where: short stacking energy: -801.980
Base-Backbone interact. energy: -2.933
local terms energy: -785.616327
where:
bonds (distance) C4'-P energy: -134.626
bonds (distance) P-C4' energy: -142.066
flat angles C4'-P-C4' energy: -161.866
flat angles P-C4'-P energy: -97.952
tors. eta vs tors. theta energy: -249.106
Dist. restrs. and SS energy: 8.850 (S_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: 146
Temperature: 1.000000
Total energy: -2654.730668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.730668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.267621 (E_RNA)
where:
Base-Base interactions energy: -1870.202
where: short stacking energy: -755.404
Base-Backbone interact. energy: -2.665
local terms energy: -793.400569
where:
bonds (distance) C4'-P energy: -141.755
bonds (distance) P-C4' energy: -128.130
flat angles C4'-P-C4' energy: -171.255
flat angles P-C4'-P energy: -114.899
tors. eta vs tors. theta energy: -237.361
Dist. restrs. and SS energy: 11.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2542.028764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.028764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.259660 (E_RNA)
where:
Base-Base interactions energy: -1780.274
where: short stacking energy: -730.228
Base-Backbone interact. energy: -1.681
local terms energy: -769.304199
where:
bonds (distance) C4'-P energy: -145.094
bonds (distance) P-C4' energy: -144.114
flat angles C4'-P-C4' energy: -152.432
flat angles P-C4'-P energy: -107.551
tors. eta vs tors. theta energy: -220.113
Dist. restrs. and SS energy: 9.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2497.567720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.567720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.544996 (E_RNA)
where:
Base-Base interactions energy: -1779.836
where: short stacking energy: -722.790
Base-Backbone interact. energy: -2.027
local terms energy: -725.681943
where:
bonds (distance) C4'-P energy: -121.666
bonds (distance) P-C4' energy: -126.559
flat angles C4'-P-C4' energy: -153.809
flat angles P-C4'-P energy: -95.841
tors. eta vs tors. theta energy: -227.806
Dist. restrs. and SS energy: 9.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2343.443889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.443889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.988987 (E_RNA)
where:
Base-Base interactions energy: -1678.928
where: short stacking energy: -674.159
Base-Backbone interact. energy: 0.975
local terms energy: -675.036459
where:
bonds (distance) C4'-P energy: -113.347
bonds (distance) P-C4' energy: -125.257
flat angles C4'-P-C4' energy: -143.937
flat angles P-C4'-P energy: -94.614
tors. eta vs tors. theta energy: -197.881
Dist. restrs. and SS energy: 9.545 (S_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: 146
Temperature: 1.200000
Total energy: -2381.220310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.220310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.522722 (E_RNA)
where:
Base-Base interactions energy: -1689.748
where: short stacking energy: -694.643
Base-Backbone interact. energy: -2.021
local terms energy: -705.754009
where:
bonds (distance) C4'-P energy: -117.720
bonds (distance) P-C4' energy: -112.759
flat angles C4'-P-C4' energy: -146.026
flat angles P-C4'-P energy: -111.816
tors. eta vs tors. theta energy: -217.433
Dist. restrs. and SS energy: 16.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -2165.588999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.588999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.864292 (E_RNA)
where:
Base-Base interactions energy: -1560.655
where: short stacking energy: -647.461
Base-Backbone interact. energy: -0.019
local terms energy: -622.189579
where:
bonds (distance) C4'-P energy: -112.772
bonds (distance) P-C4' energy: -104.268
flat angles C4'-P-C4' energy: -118.219
flat angles P-C4'-P energy: -93.331
tors. eta vs tors. theta energy: -193.600
Dist. restrs. and SS energy: 17.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -2081.424613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.424613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.125000 (E_RNA)
where:
Base-Base interactions energy: -1453.303
where: short stacking energy: -585.239
Base-Backbone interact. energy: 2.046
local terms energy: -650.867720
where:
bonds (distance) C4'-P energy: -121.520
bonds (distance) P-C4' energy: -123.580
flat angles C4'-P-C4' energy: -140.205
flat angles P-C4'-P energy: -77.934
tors. eta vs tors. theta energy: -187.629
Dist. restrs. and SS energy: 20.700 (S_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: 146
Temperature: 1.350000
Total energy: -1993.092997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.092997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.885559 (E_RNA)
where:
Base-Base interactions energy: -1427.212
where: short stacking energy: -573.295
Base-Backbone interact. energy: 3.748
local terms energy: -594.420896
where:
bonds (distance) C4'-P energy: -97.988
bonds (distance) P-C4' energy: -114.864
flat angles C4'-P-C4' energy: -117.314
flat angles P-C4'-P energy: -78.645
tors. eta vs tors. theta energy: -185.609
Dist. restrs. and SS energy: 24.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2730.225249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.225249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.593206 (E_RNA)
where:
Base-Base interactions energy: -1949.176
where: short stacking energy: -802.881
Base-Backbone interact. energy: -1.107
local terms energy: -783.310058
where:
bonds (distance) C4'-P energy: -128.974
bonds (distance) P-C4' energy: -139.618
flat angles C4'-P-C4' energy: -160.925
flat angles P-C4'-P energy: -111.379
tors. eta vs tors. theta energy: -242.413
Dist. restrs. and SS energy: 3.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2665.942958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.942958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.681615 (E_RNA)
where:
Base-Base interactions energy: -1872.638
where: short stacking energy: -803.025
Base-Backbone interact. energy: -2.704
local terms energy: -800.339479
where:
bonds (distance) C4'-P energy: -140.920
bonds (distance) P-C4' energy: -130.756
flat angles C4'-P-C4' energy: -161.657
flat angles P-C4'-P energy: -125.710
tors. eta vs tors. theta energy: -241.297
Dist. restrs. and SS energy: 9.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2640.174637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.174637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.400248 (E_RNA)
where:
Base-Base interactions energy: -1851.754
where: short stacking energy: -783.971
Base-Backbone interact. energy: -0.600
local terms energy: -799.046221
where:
bonds (distance) C4'-P energy: -137.953
bonds (distance) P-C4' energy: -137.669
flat angles C4'-P-C4' energy: -171.189
flat angles P-C4'-P energy: -104.700
tors. eta vs tors. theta energy: -247.536
Dist. restrs. and SS energy: 11.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2552.897375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.897375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.704777 (E_RNA)
where:
Base-Base interactions energy: -1815.195
where: short stacking energy: -728.426
Base-Backbone interact. energy: -3.290
local terms energy: -743.219738
where:
bonds (distance) C4'-P energy: -132.466
bonds (distance) P-C4' energy: -129.718
flat angles C4'-P-C4' energy: -154.072
flat angles P-C4'-P energy: -105.585
tors. eta vs tors. theta energy: -221.379
Dist. restrs. and SS energy: 8.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2538.364630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.364630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.822432 (E_RNA)
where:
Base-Base interactions energy: -1811.309
where: short stacking energy: -744.899
Base-Backbone interact. energy: -2.478
local terms energy: -736.035075
where:
bonds (distance) C4'-P energy: -131.289
bonds (distance) P-C4' energy: -118.196
flat angles C4'-P-C4' energy: -160.425
flat angles P-C4'-P energy: -92.793
tors. eta vs tors. theta energy: -233.333
Dist. restrs. and SS energy: 11.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2373.665417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.665417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.031208 (E_RNA)
where:
Base-Base interactions energy: -1691.267
where: short stacking energy: -692.089
Base-Backbone interact. energy: -4.836
local terms energy: -688.927563
where:
bonds (distance) C4'-P energy: -106.084
bonds (distance) P-C4' energy: -126.147
flat angles C4'-P-C4' energy: -133.013
flat angles P-C4'-P energy: -103.502
tors. eta vs tors. theta energy: -220.182
Dist. restrs. and SS energy: 11.366 (S_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: 147
Temperature: 1.200000
Total energy: -2330.205569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.205569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.042362 (E_RNA)
where:
Base-Base interactions energy: -1691.222
where: short stacking energy: -686.274
Base-Backbone interact. energy: -2.820
local terms energy: -646.000532
where:
bonds (distance) C4'-P energy: -116.345
bonds (distance) P-C4' energy: -97.102
flat angles C4'-P-C4' energy: -129.968
flat angles P-C4'-P energy: -89.712
tors. eta vs tors. theta energy: -212.873
Dist. restrs. and SS energy: 9.837 (S_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: 147
Temperature: 1.250000
Total energy: -2164.259117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.259117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.856684 (E_RNA)
where:
Base-Base interactions energy: -1501.254
where: short stacking energy: -604.019
Base-Backbone interact. energy: -1.786
local terms energy: -675.816599
where:
bonds (distance) C4'-P energy: -115.769
bonds (distance) P-C4' energy: -124.822
flat angles C4'-P-C4' energy: -128.719
flat angles P-C4'-P energy: -97.568
tors. eta vs tors. theta energy: -208.939
Dist. restrs. and SS energy: 14.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -2029.497973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.497973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.142074 (E_RNA)
where:
Base-Base interactions energy: -1471.318
where: short stacking energy: -582.116
Base-Backbone interact. energy: -2.422
local terms energy: -571.401632
where:
bonds (distance) C4'-P energy: -107.054
bonds (distance) P-C4' energy: -107.211
flat angles C4'-P-C4' energy: -110.598
flat angles P-C4'-P energy: -78.661
tors. eta vs tors. theta energy: -167.878
Dist. restrs. and SS energy: 15.644 (S_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: 147
Temperature: 1.350000
Total energy: -2015.816029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.816029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.141066 (E_RNA)
where:
Base-Base interactions energy: -1451.120
where: short stacking energy: -582.762
Base-Backbone interact. energy: 0.327
local terms energy: -586.348635
where:
bonds (distance) C4'-P energy: -106.668
bonds (distance) P-C4' energy: -107.897
flat angles C4'-P-C4' energy: -125.670
flat angles P-C4'-P energy: -80.235
tors. eta vs tors. theta energy: -165.879
Dist. restrs. and SS energy: 21.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2761.010605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.010605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.684919 (E_RNA)
where:
Base-Base interactions energy: -1959.162
where: short stacking energy: -795.894
Base-Backbone interact. energy: -2.315
local terms energy: -802.207620
where:
bonds (distance) C4'-P energy: -138.012
bonds (distance) P-C4' energy: -136.125
flat angles C4'-P-C4' energy: -164.886
flat angles P-C4'-P energy: -118.962
tors. eta vs tors. theta energy: -244.223
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2657.072659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.072659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.408226 (E_RNA)
where:
Base-Base interactions energy: -1859.675
where: short stacking energy: -766.624
Base-Backbone interact. energy: -0.889
local terms energy: -804.844021
where:
bonds (distance) C4'-P energy: -132.438
bonds (distance) P-C4' energy: -146.863
flat angles C4'-P-C4' energy: -170.593
flat angles P-C4'-P energy: -110.795
tors. eta vs tors. theta energy: -244.155
Dist. restrs. and SS energy: 8.336 (S_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: 148
Temperature: 1.000000
Total energy: -2610.532116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.532116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.157361 (E_RNA)
where:
Base-Base interactions energy: -1841.603
where: short stacking energy: -765.554
Base-Backbone interact. energy: -1.132
local terms energy: -783.422351
where:
bonds (distance) C4'-P energy: -132.442
bonds (distance) P-C4' energy: -136.880
flat angles C4'-P-C4' energy: -156.135
flat angles P-C4'-P energy: -116.490
tors. eta vs tors. theta energy: -241.474
Dist. restrs. and SS energy: 15.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2548.933041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.933041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.307255 (E_RNA)
where:
Base-Base interactions energy: -1790.527
where: short stacking energy: -727.338
Base-Backbone interact. energy: -4.881
local terms energy: -764.899079
where:
bonds (distance) C4'-P energy: -133.573
bonds (distance) P-C4' energy: -135.908
flat angles C4'-P-C4' energy: -158.997
flat angles P-C4'-P energy: -107.446
tors. eta vs tors. theta energy: -228.975
Dist. restrs. and SS energy: 11.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2471.861012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.861012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.861755 (E_RNA)
where:
Base-Base interactions energy: -1753.048
where: short stacking energy: -710.411
Base-Backbone interact. energy: -1.262
local terms energy: -734.551827
where:
bonds (distance) C4'-P energy: -120.739
bonds (distance) P-C4' energy: -139.814
flat angles C4'-P-C4' energy: -160.761
flat angles P-C4'-P energy: -102.189
tors. eta vs tors. theta energy: -211.049
Dist. restrs. and SS energy: 17.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2356.070094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.070094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.510412 (E_RNA)
where:
Base-Base interactions energy: -1687.192
where: short stacking energy: -687.400
Base-Backbone interact. energy: -3.058
local terms energy: -678.261172
where:
bonds (distance) C4'-P energy: -118.855
bonds (distance) P-C4' energy: -108.690
flat angles C4'-P-C4' energy: -155.224
flat angles P-C4'-P energy: -87.131
tors. eta vs tors. theta energy: -208.361
Dist. restrs. and SS energy: 12.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2403.750260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.750260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.207091 (E_RNA)
where:
Base-Base interactions energy: -1700.795
where: short stacking energy: -697.605
Base-Backbone interact. energy: -2.298
local terms energy: -709.113503
where:
bonds (distance) C4'-P energy: -116.809
bonds (distance) P-C4' energy: -129.469
flat angles C4'-P-C4' energy: -147.781
flat angles P-C4'-P energy: -97.266
tors. eta vs tors. theta energy: -217.789
Dist. restrs. and SS energy: 8.457 (S_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: 148
Temperature: 1.250000
Total energy: -2194.498569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.498569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.674383 (E_RNA)
where:
Base-Base interactions energy: -1526.087
where: short stacking energy: -611.441
Base-Backbone interact. energy: -1.783
local terms energy: -683.804899
where:
bonds (distance) C4'-P energy: -119.338
bonds (distance) P-C4' energy: -117.646
flat angles C4'-P-C4' energy: -140.609
flat angles P-C4'-P energy: -104.718
tors. eta vs tors. theta energy: -201.495
Dist. restrs. and SS energy: 17.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -2072.724322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.724322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.324589 (E_RNA)
where:
Base-Base interactions energy: -1458.495
where: short stacking energy: -585.241
Base-Backbone interact. energy: -1.765
local terms energy: -631.064902
where:
bonds (distance) C4'-P energy: -107.212
bonds (distance) P-C4' energy: -111.760
flat angles C4'-P-C4' energy: -146.995
flat angles P-C4'-P energy: -83.462
tors. eta vs tors. theta energy: -181.636
Dist. restrs. and SS energy: 18.600 (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: 148
Temperature: 1.350000
Total energy: -1972.319227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.319227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.747679 (E_RNA)
where:
Base-Base interactions energy: -1443.925
where: short stacking energy: -575.722
Base-Backbone interact. energy: 2.011
local terms energy: -556.833452
where:
bonds (distance) C4'-P energy: -95.652
bonds (distance) P-C4' energy: -106.772
flat angles C4'-P-C4' energy: -112.329
flat angles P-C4'-P energy: -74.741
tors. eta vs tors. theta energy: -167.339
Dist. restrs. and SS energy: 26.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2729.791351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.791351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.806811 (E_RNA)
where:
Base-Base interactions energy: -1895.416
where: short stacking energy: -773.826
Base-Backbone interact. energy: 0.773
local terms energy: -839.163846
where:
bonds (distance) C4'-P energy: -149.975
bonds (distance) P-C4' energy: -148.082
flat angles C4'-P-C4' energy: -163.947
flat angles P-C4'-P energy: -125.101
tors. eta vs tors. theta energy: -252.059
Dist. restrs. and SS energy: 4.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2684.899351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.899351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.095803 (E_RNA)
where:
Base-Base interactions energy: -1904.140
where: short stacking energy: -794.016
Base-Backbone interact. energy: -0.443
local terms energy: -790.512797
where:
bonds (distance) C4'-P energy: -143.935
bonds (distance) P-C4' energy: -129.545
flat angles C4'-P-C4' energy: -160.946
flat angles P-C4'-P energy: -120.567
tors. eta vs tors. theta energy: -235.520
Dist. restrs. and SS energy: 10.196 (S_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: 149
Temperature: 1.000000
Total energy: -2639.289397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.289397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.842283 (E_RNA)
where:
Base-Base interactions energy: -1860.295
where: short stacking energy: -802.760
Base-Backbone interact. energy: -1.109
local terms energy: -791.438607
where:
bonds (distance) C4'-P energy: -133.579
bonds (distance) P-C4' energy: -134.493
flat angles C4'-P-C4' energy: -171.363
flat angles P-C4'-P energy: -107.354
tors. eta vs tors. theta energy: -244.649
Dist. restrs. and SS energy: 13.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2565.567905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.567905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.652093 (E_RNA)
where:
Base-Base interactions energy: -1838.390
where: short stacking energy: -755.150
Base-Backbone interact. energy: -0.820
local terms energy: -739.442351
where:
bonds (distance) C4'-P energy: -141.455
bonds (distance) P-C4' energy: -108.563
flat angles C4'-P-C4' energy: -146.104
flat angles P-C4'-P energy: -106.387
tors. eta vs tors. theta energy: -236.932
Dist. restrs. and SS energy: 13.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2494.509175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.509175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.870887 (E_RNA)
where:
Base-Base interactions energy: -1764.865
where: short stacking energy: -727.084
Base-Backbone interact. energy: 1.413
local terms energy: -741.419119
where:
bonds (distance) C4'-P energy: -132.275
bonds (distance) P-C4' energy: -131.608
flat angles C4'-P-C4' energy: -151.827
flat angles P-C4'-P energy: -103.107
tors. eta vs tors. theta energy: -222.603
Dist. restrs. and SS energy: 10.362 (S_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: 149
Temperature: 1.150000
Total energy: -2387.649288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.649288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.877790 (E_RNA)
where:
Base-Base interactions energy: -1688.082
where: short stacking energy: -704.210
Base-Backbone interact. energy: -1.088
local terms energy: -707.708475
where:
bonds (distance) C4'-P energy: -108.014
bonds (distance) P-C4' energy: -118.977
flat angles C4'-P-C4' energy: -153.693
flat angles P-C4'-P energy: -101.245
tors. eta vs tors. theta energy: -225.778
Dist. restrs. and SS energy: 9.229 (S_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: 149
Temperature: 1.200000
Total energy: -2252.285135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.285135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.182992 (E_RNA)
where:
Base-Base interactions energy: -1602.576
where: short stacking energy: -655.565
Base-Backbone interact. energy: -3.757
local terms energy: -662.849979
where:
bonds (distance) C4'-P energy: -126.568
bonds (distance) P-C4' energy: -116.099
flat angles C4'-P-C4' energy: -127.836
flat angles P-C4'-P energy: -104.611
tors. eta vs tors. theta energy: -187.736
Dist. restrs. and SS energy: 16.898 (S_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: 149
Temperature: 1.250000
Total energy: -2175.164353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.164353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.382683 (E_RNA)
where:
Base-Base interactions energy: -1572.798
where: short stacking energy: -626.784
Base-Backbone interact. energy: 0.477
local terms energy: -611.061166
where:
bonds (distance) C4'-P energy: -100.300
bonds (distance) P-C4' energy: -103.486
flat angles C4'-P-C4' energy: -123.503
flat angles P-C4'-P energy: -82.726
tors. eta vs tors. theta energy: -201.046
Dist. restrs. and SS energy: 8.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -2084.681649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.681649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.996829 (E_RNA)
where:
Base-Base interactions energy: -1505.736
where: short stacking energy: -601.075
Base-Backbone interact. energy: -2.653
local terms energy: -594.607349
where:
bonds (distance) C4'-P energy: -96.906
bonds (distance) P-C4' energy: -115.929
flat angles C4'-P-C4' energy: -115.723
flat angles P-C4'-P energy: -80.484
tors. eta vs tors. theta energy: -185.565
Dist. restrs. and SS energy: 18.315 (S_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: 149
Temperature: 1.350000
Total energy: -2010.149813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.149813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.915795 (E_RNA)
where:
Base-Base interactions energy: -1455.242
where: short stacking energy: -576.600
Base-Backbone interact. energy: -1.270
local terms energy: -567.404526
where:
bonds (distance) C4'-P energy: -112.364
bonds (distance) P-C4' energy: -100.879
flat angles C4'-P-C4' energy: -114.203
flat angles P-C4'-P energy: -85.975
tors. eta vs tors. theta energy: -153.983
Dist. restrs. and SS energy: 13.766 (S_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: 150
Temperature: 0.900000
Total energy: -2721.187159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.187159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.123710 (E_RNA)
where:
Base-Base interactions energy: -1921.274
where: short stacking energy: -761.395
Base-Backbone interact. energy: -3.152
local terms energy: -806.698160
where:
bonds (distance) C4'-P energy: -125.978
bonds (distance) P-C4' energy: -140.450
flat angles C4'-P-C4' energy: -171.724
flat angles P-C4'-P energy: -123.497
tors. eta vs tors. theta energy: -245.050
Dist. restrs. and SS energy: 9.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2671.753897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.753897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.945123 (E_RNA)
where:
Base-Base interactions energy: -1893.585
where: short stacking energy: -763.450
Base-Backbone interact. energy: 0.546
local terms energy: -780.905986
where:
bonds (distance) C4'-P energy: -125.935
bonds (distance) P-C4' energy: -145.612
flat angles C4'-P-C4' energy: -161.463
flat angles P-C4'-P energy: -111.633
tors. eta vs tors. theta energy: -236.262
Dist. restrs. and SS energy: 2.191 (S_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: 150
Temperature: 1.000000
Total energy: -2639.443429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.443429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.871127 (E_RNA)
where:
Base-Base interactions energy: -1850.377
where: short stacking energy: -775.036
Base-Backbone interact. energy: -0.588
local terms energy: -799.906400
where:
bonds (distance) C4'-P energy: -129.077
bonds (distance) P-C4' energy: -133.235
flat angles C4'-P-C4' energy: -171.704
flat angles P-C4'-P energy: -111.585
tors. eta vs tors. theta energy: -254.305
Dist. restrs. and SS energy: 11.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2576.887659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.887659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.830617 (E_RNA)
where:
Base-Base interactions energy: -1818.816
where: short stacking energy: -738.300
Base-Backbone interact. energy: -0.655
local terms energy: -771.359929
where:
bonds (distance) C4'-P energy: -135.697
bonds (distance) P-C4' energy: -127.704
flat angles C4'-P-C4' energy: -157.985
flat angles P-C4'-P energy: -111.840
tors. eta vs tors. theta energy: -238.133
Dist. restrs. and SS energy: 13.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2506.490103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.490103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.776462 (E_RNA)
where:
Base-Base interactions energy: -1780.162
where: short stacking energy: -716.426
Base-Backbone interact. energy: -0.410
local terms energy: -733.204435
where:
bonds (distance) C4'-P energy: -127.449
bonds (distance) P-C4' energy: -129.914
flat angles C4'-P-C4' energy: -152.898
flat angles P-C4'-P energy: -103.184
tors. eta vs tors. theta energy: -219.760
Dist. restrs. and SS energy: 7.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2410.276741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.276741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.085053 (E_RNA)
where:
Base-Base interactions energy: -1702.968
where: short stacking energy: -684.941
Base-Backbone interact. energy: -1.066
local terms energy: -715.051568
where:
bonds (distance) C4'-P energy: -130.855
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -144.505
flat angles P-C4'-P energy: -101.335
tors. eta vs tors. theta energy: -219.583
Dist. restrs. and SS energy: 8.808 (S_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: 150
Temperature: 1.200000
Total energy: -2355.429420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.429420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.999748 (E_RNA)
where:
Base-Base interactions energy: -1650.297
where: short stacking energy: -655.901
Base-Backbone interact. energy: -3.195
local terms energy: -713.507474
where:
bonds (distance) C4'-P energy: -133.013
bonds (distance) P-C4' energy: -130.990
flat angles C4'-P-C4' energy: -138.258
flat angles P-C4'-P energy: -99.327
tors. eta vs tors. theta energy: -211.919
Dist. restrs. and SS energy: 11.570 (S_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: 150
Temperature: 1.250000
Total energy: -2176.615003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.615003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.691919 (E_RNA)
where:
Base-Base interactions energy: -1555.803
where: short stacking energy: -614.359
Base-Backbone interact. energy: -1.720
local terms energy: -638.169220
where:
bonds (distance) C4'-P energy: -99.297
bonds (distance) P-C4' energy: -108.237
flat angles C4'-P-C4' energy: -148.514
flat angles P-C4'-P energy: -76.282
tors. eta vs tors. theta energy: -205.839
Dist. restrs. and SS energy: 19.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -2077.133154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.133154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.842306 (E_RNA)
where:
Base-Base interactions energy: -1487.795
where: short stacking energy: -582.951
Base-Backbone interact. energy: -3.317
local terms energy: -601.730323
where:
bonds (distance) C4'-P energy: -98.805
bonds (distance) P-C4' energy: -136.903
flat angles C4'-P-C4' energy: -131.951
flat angles P-C4'-P energy: -72.935
tors. eta vs tors. theta energy: -161.137
Dist. restrs. and SS energy: 15.709 (S_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: 150
Temperature: 1.350000
Total energy: -1970.770004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.770004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.536357 (E_RNA)
where:
Base-Base interactions energy: -1401.506
where: short stacking energy: -572.461
Base-Backbone interact. energy: -2.421
local terms energy: -595.609685
where:
bonds (distance) C4'-P energy: -122.181
bonds (distance) P-C4' energy: -101.504
flat angles C4'-P-C4' energy: -122.702
flat angles P-C4'-P energy: -69.325
tors. eta vs tors. theta energy: -179.898
Dist. restrs. and SS energy: 28.766 (S_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: 151
Temperature: 0.900000
Total energy: -2728.688148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.688148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.821261 (E_RNA)
where:
Base-Base interactions energy: -1932.665
where: short stacking energy: -778.981
Base-Backbone interact. energy: -0.429
local terms energy: -805.727345
where:
bonds (distance) C4'-P energy: -141.747
bonds (distance) P-C4' energy: -138.847
flat angles C4'-P-C4' energy: -172.782
flat angles P-C4'-P energy: -111.821
tors. eta vs tors. theta energy: -240.530
Dist. restrs. and SS energy: 10.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2691.321986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.321986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.406808 (E_RNA)
where:
Base-Base interactions energy: -1910.290
where: short stacking energy: -774.597
Base-Backbone interact. energy: 0.599
local terms energy: -785.715528
where:
bonds (distance) C4'-P energy: -141.472
bonds (distance) P-C4' energy: -148.131
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -101.868
tors. eta vs tors. theta energy: -233.910
Dist. restrs. and SS energy: 4.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2644.988032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.988032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.193195 (E_RNA)
where:
Base-Base interactions energy: -1873.226
where: short stacking energy: -795.306
Base-Backbone interact. energy: 0.147
local terms energy: -785.114162
where:
bonds (distance) C4'-P energy: -128.638
bonds (distance) P-C4' energy: -139.189
flat angles C4'-P-C4' energy: -159.618
flat angles P-C4'-P energy: -113.323
tors. eta vs tors. theta energy: -244.347
Dist. restrs. and SS energy: 13.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2562.357570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.357570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.221916 (E_RNA)
where:
Base-Base interactions energy: -1837.776
where: short stacking energy: -768.042
Base-Backbone interact. energy: 3.089
local terms energy: -739.535347
where:
bonds (distance) C4'-P energy: -120.101
bonds (distance) P-C4' energy: -134.254
flat angles C4'-P-C4' energy: -141.256
flat angles P-C4'-P energy: -116.271
tors. eta vs tors. theta energy: -227.653
Dist. restrs. and SS energy: 11.864 (S_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: 151
Temperature: 1.100000
Total energy: -2489.433462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.433462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.362946 (E_RNA)
where:
Base-Base interactions energy: -1804.551
where: short stacking energy: -727.295
Base-Backbone interact. energy: 1.075
local terms energy: -698.886733
where:
bonds (distance) C4'-P energy: -117.108
bonds (distance) P-C4' energy: -122.040
flat angles C4'-P-C4' energy: -146.156
flat angles P-C4'-P energy: -87.298
tors. eta vs tors. theta energy: -226.284
Dist. restrs. and SS energy: 12.929 (S_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: 151
Temperature: 1.150000
Total energy: -2386.900821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.900821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.952946 (E_RNA)
where:
Base-Base interactions energy: -1671.772
where: short stacking energy: -690.339
Base-Backbone interact. energy: -1.225
local terms energy: -726.956256
where:
bonds (distance) C4'-P energy: -125.292
bonds (distance) P-C4' energy: -122.228
flat angles C4'-P-C4' energy: -161.554
flat angles P-C4'-P energy: -98.626
tors. eta vs tors. theta energy: -219.256
Dist. restrs. and SS energy: 13.052 (S_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: 151
Temperature: 1.200000
Total energy: -2320.160496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.160496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.147225 (E_RNA)
where:
Base-Base interactions energy: -1651.280
where: short stacking energy: -656.997
Base-Backbone interact. energy: -1.967
local terms energy: -682.900490
where:
bonds (distance) C4'-P energy: -101.844
bonds (distance) P-C4' energy: -128.600
flat angles C4'-P-C4' energy: -149.570
flat angles P-C4'-P energy: -93.932
tors. eta vs tors. theta energy: -208.955
Dist. restrs. and SS energy: 15.987 (S_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: 151
Temperature: 1.250000
Total energy: -2169.596441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.596441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.171576 (E_RNA)
where:
Base-Base interactions energy: -1559.246
where: short stacking energy: -633.308
Base-Backbone interact. energy: 0.112
local terms energy: -629.037865
where:
bonds (distance) C4'-P energy: -103.860
bonds (distance) P-C4' energy: -127.016
flat angles C4'-P-C4' energy: -133.587
flat angles P-C4'-P energy: -76.115
tors. eta vs tors. theta energy: -188.460
Dist. restrs. and SS energy: 18.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -2038.262228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.262228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.925175 (E_RNA)
where:
Base-Base interactions energy: -1448.580
where: short stacking energy: -571.582
Base-Backbone interact. energy: -5.372
local terms energy: -605.973533
where:
bonds (distance) C4'-P energy: -100.324
bonds (distance) P-C4' energy: -118.349
flat angles C4'-P-C4' energy: -138.448
flat angles P-C4'-P energy: -83.286
tors. eta vs tors. theta energy: -165.567
Dist. restrs. and SS energy: 21.663 (S_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: 151
Temperature: 1.350000
Total energy: -1973.984908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.984908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.146480 (E_RNA)
where:
Base-Base interactions energy: -1394.453
where: short stacking energy: -550.556
Base-Backbone interact. energy: -1.668
local terms energy: -597.025342
where:
bonds (distance) C4'-P energy: -101.857
bonds (distance) P-C4' energy: -126.159
flat angles C4'-P-C4' energy: -127.453
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -161.360
Dist. restrs. and SS energy: 19.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2725.618771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.618771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.484364 (E_RNA)
where:
Base-Base interactions energy: -1939.038
where: short stacking energy: -783.068
Base-Backbone interact. energy: -2.278
local terms energy: -797.168667
where:
bonds (distance) C4'-P energy: -142.249
bonds (distance) P-C4' energy: -135.733
flat angles C4'-P-C4' energy: -161.432
flat angles P-C4'-P energy: -117.667
tors. eta vs tors. theta energy: -240.087
Dist. restrs. and SS energy: 12.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2729.049710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.049710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.871688 (E_RNA)
where:
Base-Base interactions energy: -1926.116
where: short stacking energy: -773.258
Base-Backbone interact. energy: -2.980
local terms energy: -803.774954
where:
bonds (distance) C4'-P energy: -135.861
bonds (distance) P-C4' energy: -142.064
flat angles C4'-P-C4' energy: -163.111
flat angles P-C4'-P energy: -116.096
tors. eta vs tors. theta energy: -246.642
Dist. restrs. and SS energy: 3.822 (S_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: 152
Temperature: 1.000000
Total energy: -2636.718514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.718514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.479918 (E_RNA)
where:
Base-Base interactions energy: -1882.074
where: short stacking energy: -795.967
Base-Backbone interact. energy: -1.963
local terms energy: -768.442692
where:
bonds (distance) C4'-P energy: -118.334
bonds (distance) P-C4' energy: -130.937
flat angles C4'-P-C4' energy: -158.341
flat angles P-C4'-P energy: -109.021
tors. eta vs tors. theta energy: -251.810
Dist. restrs. and SS energy: 15.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2560.474374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.474374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.647193 (E_RNA)
where:
Base-Base interactions energy: -1819.777
where: short stacking energy: -724.849
Base-Backbone interact. energy: -0.122
local terms energy: -750.748449
where:
bonds (distance) C4'-P energy: -133.479
bonds (distance) P-C4' energy: -127.049
flat angles C4'-P-C4' energy: -163.991
flat angles P-C4'-P energy: -104.933
tors. eta vs tors. theta energy: -221.295
Dist. restrs. and SS energy: 10.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2490.936706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.936706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.201343 (E_RNA)
where:
Base-Base interactions energy: -1785.731
where: short stacking energy: -730.605
Base-Backbone interact. energy: -1.206
local terms energy: -713.264607
where:
bonds (distance) C4'-P energy: -109.054
bonds (distance) P-C4' energy: -128.855
flat angles C4'-P-C4' energy: -153.645
flat angles P-C4'-P energy: -91.198
tors. eta vs tors. theta energy: -230.511
Dist. restrs. and SS energy: 9.265 (S_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: 152
Temperature: 1.150000
Total energy: -2421.889772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.889772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.275484 (E_RNA)
where:
Base-Base interactions energy: -1753.452
where: short stacking energy: -711.737
Base-Backbone interact. energy: -2.194
local terms energy: -673.629534
where:
bonds (distance) C4'-P energy: -91.972
bonds (distance) P-C4' energy: -94.765
flat angles C4'-P-C4' energy: -155.514
flat angles P-C4'-P energy: -103.120
tors. eta vs tors. theta energy: -228.258
Dist. restrs. and SS energy: 7.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2350.906468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.906468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.921405 (E_RNA)
where:
Base-Base interactions energy: -1671.743
where: short stacking energy: -673.847
Base-Backbone interact. energy: 2.426
local terms energy: -693.604312
where:
bonds (distance) C4'-P energy: -131.242
bonds (distance) P-C4' energy: -117.217
flat angles C4'-P-C4' energy: -141.068
flat angles P-C4'-P energy: -81.079
tors. eta vs tors. theta energy: -222.998
Dist. restrs. and SS energy: 12.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2208.174945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.174945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.231508 (E_RNA)
where:
Base-Base interactions energy: -1587.931
where: short stacking energy: -645.538
Base-Backbone interact. energy: 2.447
local terms energy: -637.748082
where:
bonds (distance) C4'-P energy: -108.849
bonds (distance) P-C4' energy: -106.732
flat angles C4'-P-C4' energy: -140.247
flat angles P-C4'-P energy: -87.950
tors. eta vs tors. theta energy: -193.969
Dist. restrs. and SS energy: 15.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -2021.510682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.510682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.395705 (E_RNA)
where:
Base-Base interactions energy: -1439.076
where: short stacking energy: -557.097
Base-Backbone interact. energy: -0.012
local terms energy: -597.307850
where:
bonds (distance) C4'-P energy: -95.640
bonds (distance) P-C4' energy: -111.877
flat angles C4'-P-C4' energy: -132.867
flat angles P-C4'-P energy: -80.092
tors. eta vs tors. theta energy: -176.831
Dist. restrs. and SS energy: 14.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1987.988943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.988943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.363653 (E_RNA)
where:
Base-Base interactions energy: -1426.505
where: short stacking energy: -581.524
Base-Backbone interact. energy: -2.876
local terms energy: -576.982237
where:
bonds (distance) C4'-P energy: -100.074
bonds (distance) P-C4' energy: -126.677
flat angles C4'-P-C4' energy: -112.822
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -166.965
Dist. restrs. and SS energy: 18.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2756.222560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.222560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.877716 (E_RNA)
where:
Base-Base interactions energy: -1967.317
where: short stacking energy: -795.408
Base-Backbone interact. energy: -3.186
local terms energy: -797.374307
where:
bonds (distance) C4'-P energy: -127.455
bonds (distance) P-C4' energy: -135.453
flat angles C4'-P-C4' energy: -173.716
flat angles P-C4'-P energy: -118.429
tors. eta vs tors. theta energy: -242.320
Dist. restrs. and SS energy: 11.655 (S_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: 153
Temperature: 0.950000
Total energy: -2676.039603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.039603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.277212 (E_RNA)
where:
Base-Base interactions energy: -1876.711
where: short stacking energy: -759.065
Base-Backbone interact. energy: -0.305
local terms energy: -810.260858
where:
bonds (distance) C4'-P energy: -143.406
bonds (distance) P-C4' energy: -154.484
flat angles C4'-P-C4' energy: -154.040
flat angles P-C4'-P energy: -111.308
tors. eta vs tors. theta energy: -247.022
Dist. restrs. and SS energy: 11.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2672.717084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.717084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.864558 (E_RNA)
where:
Base-Base interactions energy: -1905.171
where: short stacking energy: -786.980
Base-Backbone interact. energy: -2.696
local terms energy: -768.997606
where:
bonds (distance) C4'-P energy: -132.224
bonds (distance) P-C4' energy: -132.612
flat angles C4'-P-C4' energy: -157.304
flat angles P-C4'-P energy: -101.586
tors. eta vs tors. theta energy: -245.272
Dist. restrs. and SS energy: 4.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2549.215973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.215973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.597600 (E_RNA)
where:
Base-Base interactions energy: -1815.521
where: short stacking energy: -735.871
Base-Backbone interact. energy: -2.401
local terms energy: -745.675473
where:
bonds (distance) C4'-P energy: -118.566
bonds (distance) P-C4' energy: -132.261
flat angles C4'-P-C4' energy: -156.175
flat angles P-C4'-P energy: -112.495
tors. eta vs tors. theta energy: -226.178
Dist. restrs. and SS energy: 14.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2480.073364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.073364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.320390 (E_RNA)
where:
Base-Base interactions energy: -1770.543
where: short stacking energy: -719.513
Base-Backbone interact. energy: -1.585
local terms energy: -718.192466
where:
bonds (distance) C4'-P energy: -122.072
bonds (distance) P-C4' energy: -124.802
flat angles C4'-P-C4' energy: -149.959
flat angles P-C4'-P energy: -107.964
tors. eta vs tors. theta energy: -213.395
Dist. restrs. and SS energy: 10.247 (S_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: -2412.365313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.365313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.019241 (E_RNA)
where:
Base-Base interactions energy: -1715.042
where: short stacking energy: -720.435
Base-Backbone interact. energy: -0.122
local terms energy: -709.855262
where:
bonds (distance) C4'-P energy: -112.205
bonds (distance) P-C4' energy: -126.391
flat angles C4'-P-C4' energy: -148.064
flat angles P-C4'-P energy: -101.307
tors. eta vs tors. theta energy: -221.889
Dist. restrs. and SS energy: 12.654 (S_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: 153
Temperature: 1.200000
Total energy: -2330.742795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.742795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.380985 (E_RNA)
where:
Base-Base interactions energy: -1664.971
where: short stacking energy: -690.335
Base-Backbone interact. energy: -0.604
local terms energy: -680.805515
where:
bonds (distance) C4'-P energy: -107.919
bonds (distance) P-C4' energy: -104.097
flat angles C4'-P-C4' energy: -159.104
flat angles P-C4'-P energy: -90.461
tors. eta vs tors. theta energy: -219.225
Dist. restrs. and SS energy: 15.638 (S_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: 153
Temperature: 1.250000
Total energy: -2113.928457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.928457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.143175 (E_RNA)
where:
Base-Base interactions energy: -1495.284
where: short stacking energy: -620.961
Base-Backbone interact. energy: 1.521
local terms energy: -634.380873
where:
bonds (distance) C4'-P energy: -110.855
bonds (distance) P-C4' energy: -115.936
flat angles C4'-P-C4' energy: -131.402
flat angles P-C4'-P energy: -81.322
tors. eta vs tors. theta energy: -194.866
Dist. restrs. and SS energy: 14.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -2054.217283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.217283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.460711 (E_RNA)
where:
Base-Base interactions energy: -1462.300
where: short stacking energy: -605.420
Base-Backbone interact. energy: -2.329
local terms energy: -600.832152
where:
bonds (distance) C4'-P energy: -90.793
bonds (distance) P-C4' energy: -117.169
flat angles C4'-P-C4' energy: -127.788
flat angles P-C4'-P energy: -88.177
tors. eta vs tors. theta energy: -176.905
Dist. restrs. and SS energy: 11.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1940.156669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.156669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.852674 (E_RNA)
where:
Base-Base interactions energy: -1383.905
where: short stacking energy: -556.196
Base-Backbone interact. energy: -0.828
local terms energy: -581.119279
where:
bonds (distance) C4'-P energy: -92.625
bonds (distance) P-C4' energy: -110.454
flat angles C4'-P-C4' energy: -129.841
flat angles P-C4'-P energy: -90.000
tors. eta vs tors. theta energy: -158.199
Dist. restrs. and SS energy: 25.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2742.579371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.579371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.903096 (E_RNA)
where:
Base-Base interactions energy: -1933.336
where: short stacking energy: -818.370
Base-Backbone interact. energy: 0.376
local terms energy: -818.942572
where:
bonds (distance) C4'-P energy: -140.685
bonds (distance) P-C4' energy: -148.499
flat angles C4'-P-C4' energy: -168.066
flat angles P-C4'-P energy: -116.612
tors. eta vs tors. theta energy: -245.081
Dist. restrs. and SS energy: 9.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2675.437059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.437059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.446199 (E_RNA)
where:
Base-Base interactions energy: -1905.327
where: short stacking energy: -765.015
Base-Backbone interact. energy: -1.181
local terms energy: -779.938051
where:
bonds (distance) C4'-P energy: -135.094
bonds (distance) P-C4' energy: -127.316
flat angles C4'-P-C4' energy: -159.958
flat angles P-C4'-P energy: -119.049
tors. eta vs tors. theta energy: -238.521
Dist. restrs. and SS energy: 11.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2649.227518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.227518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.778268 (E_RNA)
where:
Base-Base interactions energy: -1893.291
where: short stacking energy: -759.956
Base-Backbone interact. energy: -0.946
local terms energy: -757.541036
where:
bonds (distance) C4'-P energy: -132.077
bonds (distance) P-C4' energy: -129.553
flat angles C4'-P-C4' energy: -158.455
flat angles P-C4'-P energy: -112.714
tors. eta vs tors. theta energy: -224.742
Dist. restrs. and SS energy: 2.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2581.183023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.183023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.422550 (E_RNA)
where:
Base-Base interactions energy: -1839.073
where: short stacking energy: -754.581
Base-Backbone interact. energy: -1.816
local terms energy: -752.533342
where:
bonds (distance) C4'-P energy: -132.386
bonds (distance) P-C4' energy: -126.133
flat angles C4'-P-C4' energy: -144.289
flat angles P-C4'-P energy: -125.492
tors. eta vs tors. theta energy: -224.233
Dist. restrs. and SS energy: 12.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2504.941955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.941955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.589769 (E_RNA)
where:
Base-Base interactions energy: -1803.868
where: short stacking energy: -730.981
Base-Backbone interact. energy: 3.273
local terms energy: -718.994763
where:
bonds (distance) C4'-P energy: -120.642
bonds (distance) P-C4' energy: -139.049
flat angles C4'-P-C4' energy: -144.407
flat angles P-C4'-P energy: -97.755
tors. eta vs tors. theta energy: -217.141
Dist. restrs. and SS energy: 14.648 (S_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: -2432.002504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.002504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.389904 (E_RNA)
where:
Base-Base interactions energy: -1712.095
where: short stacking energy: -716.401
Base-Backbone interact. energy: -0.402
local terms energy: -727.892286
where:
bonds (distance) C4'-P energy: -124.815
bonds (distance) P-C4' energy: -131.644
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -93.046
tors. eta vs tors. theta energy: -227.872
Dist. restrs. and SS energy: 8.387 (S_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: 154
Temperature: 1.200000
Total energy: -2320.133911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.133911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.666877 (E_RNA)
where:
Base-Base interactions energy: -1654.330
where: short stacking energy: -662.752
Base-Backbone interact. energy: -2.194
local terms energy: -673.142746
where:
bonds (distance) C4'-P energy: -106.031
bonds (distance) P-C4' energy: -128.002
flat angles C4'-P-C4' energy: -147.923
flat angles P-C4'-P energy: -78.796
tors. eta vs tors. theta energy: -212.392
Dist. restrs. and SS energy: 9.533 (S_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: 154
Temperature: 1.250000
Total energy: -2189.545750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.545750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.026520 (E_RNA)
where:
Base-Base interactions energy: -1555.715
where: short stacking energy: -624.143
Base-Backbone interact. energy: 2.220
local terms energy: -654.531125
where:
bonds (distance) C4'-P energy: -125.148
bonds (distance) P-C4' energy: -116.358
flat angles C4'-P-C4' energy: -140.716
flat angles P-C4'-P energy: -73.406
tors. eta vs tors. theta energy: -198.903
Dist. restrs. and SS energy: 18.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -2050.300172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.300172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.488692 (E_RNA)
where:
Base-Base interactions energy: -1457.307
where: short stacking energy: -580.720
Base-Backbone interact. energy: -3.264
local terms energy: -604.916955
where:
bonds (distance) C4'-P energy: -122.201
bonds (distance) P-C4' energy: -102.261
flat angles C4'-P-C4' energy: -133.085
flat angles P-C4'-P energy: -74.444
tors. eta vs tors. theta energy: -172.927
Dist. restrs. and SS energy: 15.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1921.658089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.658089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.148133 (E_RNA)
where:
Base-Base interactions energy: -1386.910
where: short stacking energy: -545.138
Base-Backbone interact. energy: 3.719
local terms energy: -562.957000
where:
bonds (distance) C4'-P energy: -110.308
bonds (distance) P-C4' energy: -103.812
flat angles C4'-P-C4' energy: -112.122
flat angles P-C4'-P energy: -89.503
tors. eta vs tors. theta energy: -147.212
Dist. restrs. and SS energy: 24.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2744.561301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.561301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.616170 (E_RNA)
where:
Base-Base interactions energy: -1948.211
where: short stacking energy: -799.510
Base-Backbone interact. energy: -2.556
local terms energy: -801.850014
where:
bonds (distance) C4'-P energy: -136.775
bonds (distance) P-C4' energy: -143.637
flat angles C4'-P-C4' energy: -165.444
flat angles P-C4'-P energy: -111.936
tors. eta vs tors. theta energy: -244.058
Dist. restrs. and SS energy: 8.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2679.589025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.589025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.895409 (E_RNA)
where:
Base-Base interactions energy: -1926.544
where: short stacking energy: -796.996
Base-Backbone interact. energy: 0.089
local terms energy: -764.439960
where:
bonds (distance) C4'-P energy: -135.388
bonds (distance) P-C4' energy: -114.072
flat angles C4'-P-C4' energy: -161.825
flat angles P-C4'-P energy: -112.156
tors. eta vs tors. theta energy: -240.998
Dist. restrs. and SS energy: 11.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2628.201083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.201083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.813342 (E_RNA)
where:
Base-Base interactions energy: -1862.016
where: short stacking energy: -757.736
Base-Backbone interact. energy: -1.742
local terms energy: -768.055923
where:
bonds (distance) C4'-P energy: -136.291
bonds (distance) P-C4' energy: -132.203
flat angles C4'-P-C4' energy: -150.633
flat angles P-C4'-P energy: -110.644
tors. eta vs tors. theta energy: -238.285
Dist. restrs. and SS energy: 3.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2558.353804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.353804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.594103 (E_RNA)
where:
Base-Base interactions energy: -1832.157
where: short stacking energy: -743.984
Base-Backbone interact. energy: -2.431
local terms energy: -741.006772
where:
bonds (distance) C4'-P energy: -128.556
bonds (distance) P-C4' energy: -120.804
flat angles C4'-P-C4' energy: -157.321
flat angles P-C4'-P energy: -111.499
tors. eta vs tors. theta energy: -222.826
Dist. restrs. and SS energy: 17.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2460.455131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.455131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.808832 (E_RNA)
where:
Base-Base interactions energy: -1756.293
where: short stacking energy: -702.876
Base-Backbone interact. energy: 0.357
local terms energy: -714.873049
where:
bonds (distance) C4'-P energy: -133.099
bonds (distance) P-C4' energy: -112.159
flat angles C4'-P-C4' energy: -148.246
flat angles P-C4'-P energy: -101.752
tors. eta vs tors. theta energy: -219.617
Dist. restrs. and SS energy: 10.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2424.900267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.900267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.521312 (E_RNA)
where:
Base-Base interactions energy: -1717.270
where: short stacking energy: -702.237
Base-Backbone interact. energy: -1.979
local terms energy: -715.272706
where:
bonds (distance) C4'-P energy: -134.383
bonds (distance) P-C4' energy: -110.557
flat angles C4'-P-C4' energy: -149.724
flat angles P-C4'-P energy: -105.682
tors. eta vs tors. theta energy: -214.927
Dist. restrs. and SS energy: 9.621 (S_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: 155
Temperature: 1.200000
Total energy: -2304.011297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.011297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.382327 (E_RNA)
where:
Base-Base interactions energy: -1619.752
where: short stacking energy: -647.594
Base-Backbone interact. energy: -3.739
local terms energy: -695.890594
where:
bonds (distance) C4'-P energy: -128.684
bonds (distance) P-C4' energy: -129.779
flat angles C4'-P-C4' energy: -136.050
flat angles P-C4'-P energy: -104.187
tors. eta vs tors. theta energy: -197.191
Dist. restrs. and SS energy: 15.371 (S_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: 155
Temperature: 1.250000
Total energy: -2202.601312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.601312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.100910 (E_RNA)
where:
Base-Base interactions energy: -1557.930
where: short stacking energy: -646.159
Base-Backbone interact. energy: -0.126
local terms energy: -658.044968
where:
bonds (distance) C4'-P energy: -113.313
bonds (distance) P-C4' energy: -123.476
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -77.571
tors. eta vs tors. theta energy: -198.074
Dist. restrs. and SS energy: 13.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -2063.323081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.323081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.266858 (E_RNA)
where:
Base-Base interactions energy: -1497.620
where: short stacking energy: -586.685
Base-Backbone interact. energy: -3.248
local terms energy: -580.398066
where:
bonds (distance) C4'-P energy: -99.452
bonds (distance) P-C4' energy: -116.259
flat angles C4'-P-C4' energy: -124.673
flat angles P-C4'-P energy: -65.495
tors. eta vs tors. theta energy: -174.518
Dist. restrs. and SS energy: 17.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1952.046625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.046625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.023684 (E_RNA)
where:
Base-Base interactions energy: -1418.893
where: short stacking energy: -566.072
Base-Backbone interact. energy: -1.692
local terms energy: -552.439458
where:
bonds (distance) C4'-P energy: -90.400
bonds (distance) P-C4' energy: -104.013
flat angles C4'-P-C4' energy: -124.641
flat angles P-C4'-P energy: -65.532
tors. eta vs tors. theta energy: -167.854
Dist. restrs. and SS energy: 20.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2744.657157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.947443 (E_RNA)
where:
Base-Base interactions energy: -1935.199
where: short stacking energy: -807.505
Base-Backbone interact. energy: -1.437
local terms energy: -819.312036
where:
bonds (distance) C4'-P energy: -140.997
bonds (distance) P-C4' energy: -135.562
flat angles C4'-P-C4' energy: -164.389
flat angles P-C4'-P energy: -128.110
tors. eta vs tors. theta energy: -250.255
Dist. restrs. and SS energy: 11.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2671.866829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.866829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.459030 (E_RNA)
where:
Base-Base interactions energy: -1898.671
where: short stacking energy: -765.899
Base-Backbone interact. energy: -4.771
local terms energy: -780.017191
where:
bonds (distance) C4'-P energy: -131.476
bonds (distance) P-C4' energy: -146.413
flat angles C4'-P-C4' energy: -151.307
flat angles P-C4'-P energy: -113.731
tors. eta vs tors. theta energy: -237.089
Dist. restrs. and SS energy: 11.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2603.982875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.982875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.941064 (E_RNA)
where:
Base-Base interactions energy: -1846.638
where: short stacking energy: -750.512
Base-Backbone interact. energy: -0.628
local terms energy: -761.675186
where:
bonds (distance) C4'-P energy: -130.382
bonds (distance) P-C4' energy: -126.208
flat angles C4'-P-C4' energy: -156.687
flat angles P-C4'-P energy: -105.375
tors. eta vs tors. theta energy: -243.023
Dist. restrs. and SS energy: 4.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2554.122729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.122729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.791389 (E_RNA)
where:
Base-Base interactions energy: -1843.144
where: short stacking energy: -740.046
Base-Backbone interact. energy: -2.841
local terms energy: -722.806566
where:
bonds (distance) C4'-P energy: -113.403
bonds (distance) P-C4' energy: -132.125
flat angles C4'-P-C4' energy: -153.943
flat angles P-C4'-P energy: -97.709
tors. eta vs tors. theta energy: -225.626
Dist. restrs. and SS energy: 14.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2491.109910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.109910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.910556 (E_RNA)
where:
Base-Base interactions energy: -1768.006
where: short stacking energy: -749.545
Base-Backbone interact. energy: -2.176
local terms energy: -734.727964
where:
bonds (distance) C4'-P energy: -108.178
bonds (distance) P-C4' energy: -131.136
flat angles C4'-P-C4' energy: -151.606
flat angles P-C4'-P energy: -101.036
tors. eta vs tors. theta energy: -242.772
Dist. restrs. and SS energy: 13.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2420.908337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.908337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.830686 (E_RNA)
where:
Base-Base interactions energy: -1706.409
where: short stacking energy: -703.166
Base-Backbone interact. energy: -3.467
local terms energy: -723.954989
where:
bonds (distance) C4'-P energy: -124.794
bonds (distance) P-C4' energy: -119.114
flat angles C4'-P-C4' energy: -165.820
flat angles P-C4'-P energy: -96.095
tors. eta vs tors. theta energy: -218.132
Dist. restrs. and SS energy: 12.922 (S_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: 156
Temperature: 1.200000
Total energy: -2267.773060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.773060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.788295 (E_RNA)
where:
Base-Base interactions energy: -1607.551
where: short stacking energy: -645.726
Base-Backbone interact. energy: -1.329
local terms energy: -670.907687
where:
bonds (distance) C4'-P energy: -125.378
bonds (distance) P-C4' energy: -111.646
flat angles C4'-P-C4' energy: -134.125
flat angles P-C4'-P energy: -102.477
tors. eta vs tors. theta energy: -197.283
Dist. restrs. and SS energy: 12.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -2158.568960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.568960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.760337 (E_RNA)
where:
Base-Base interactions energy: -1516.708
where: short stacking energy: -622.051
Base-Backbone interact. energy: -0.122
local terms energy: -657.930894
where:
bonds (distance) C4'-P energy: -119.111
bonds (distance) P-C4' energy: -103.962
flat angles C4'-P-C4' energy: -145.515
flat angles P-C4'-P energy: -92.044
tors. eta vs tors. theta energy: -197.298
Dist. restrs. and SS energy: 16.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -2071.203309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.203309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.051116 (E_RNA)
where:
Base-Base interactions energy: -1471.909
where: short stacking energy: -579.558
Base-Backbone interact. energy: -5.111
local terms energy: -619.031137
where:
bonds (distance) C4'-P energy: -110.166
bonds (distance) P-C4' energy: -123.588
flat angles C4'-P-C4' energy: -123.827
flat angles P-C4'-P energy: -93.069
tors. eta vs tors. theta energy: -168.380
Dist. restrs. and SS energy: 24.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1984.675334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.675334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.749456 (E_RNA)
where:
Base-Base interactions energy: -1411.151
where: short stacking energy: -548.083
Base-Backbone interact. energy: -3.520
local terms energy: -594.078059
where:
bonds (distance) C4'-P energy: -104.720
bonds (distance) P-C4' energy: -113.394
flat angles C4'-P-C4' energy: -129.593
flat angles P-C4'-P energy: -80.876
tors. eta vs tors. theta energy: -165.494
Dist. restrs. and SS energy: 24.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2734.470308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.470308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.265616 (E_RNA)
where:
Base-Base interactions energy: -1934.370
where: short stacking energy: -797.916
Base-Backbone interact. energy: -3.717
local terms energy: -809.179248
where:
bonds (distance) C4'-P energy: -134.657
bonds (distance) P-C4' energy: -127.066
flat angles C4'-P-C4' energy: -174.092
flat angles P-C4'-P energy: -127.320
tors. eta vs tors. theta energy: -246.043
Dist. restrs. and SS energy: 12.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2682.324508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.324508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.502969 (E_RNA)
where:
Base-Base interactions energy: -1892.589
where: short stacking energy: -772.729
Base-Backbone interact. energy: -2.312
local terms energy: -797.601630
where:
bonds (distance) C4'-P energy: -138.367
bonds (distance) P-C4' energy: -143.510
flat angles C4'-P-C4' energy: -164.828
flat angles P-C4'-P energy: -114.673
tors. eta vs tors. theta energy: -236.223
Dist. restrs. and SS energy: 10.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2621.770052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.770052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.542144 (E_RNA)
where:
Base-Base interactions energy: -1885.733
where: short stacking energy: -794.332
Base-Backbone interact. energy: -1.915
local terms energy: -739.894316
where:
bonds (distance) C4'-P energy: -120.164
bonds (distance) P-C4' energy: -120.828
flat angles C4'-P-C4' energy: -143.203
flat angles P-C4'-P energy: -106.442
tors. eta vs tors. theta energy: -249.258
Dist. restrs. and SS energy: 5.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2544.399020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.399020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.738232 (E_RNA)
where:
Base-Base interactions energy: -1796.390
where: short stacking energy: -714.604
Base-Backbone interact. energy: -1.615
local terms energy: -756.733358
where:
bonds (distance) C4'-P energy: -140.260
bonds (distance) P-C4' energy: -136.831
flat angles C4'-P-C4' energy: -153.011
flat angles P-C4'-P energy: -102.219
tors. eta vs tors. theta energy: -224.413
Dist. restrs. and SS energy: 10.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2508.694702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.694702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.337289 (E_RNA)
where:
Base-Base interactions energy: -1770.281
where: short stacking energy: -723.909
Base-Backbone interact. energy: -1.976
local terms energy: -746.081044
where:
bonds (distance) C4'-P energy: -126.816
bonds (distance) P-C4' energy: -128.973
flat angles C4'-P-C4' energy: -151.662
flat angles P-C4'-P energy: -104.316
tors. eta vs tors. theta energy: -234.314
Dist. restrs. and SS energy: 9.643 (S_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: 157
Temperature: 1.150000
Total energy: -2386.002748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.002748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.983102 (E_RNA)
where:
Base-Base interactions energy: -1683.992
where: short stacking energy: -673.155
Base-Backbone interact. energy: -3.296
local terms energy: -706.694950
where:
bonds (distance) C4'-P energy: -126.367
bonds (distance) P-C4' energy: -128.384
flat angles C4'-P-C4' energy: -144.857
flat angles P-C4'-P energy: -93.609
tors. eta vs tors. theta energy: -213.478
Dist. restrs. and SS energy: 7.980 (S_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: 157
Temperature: 1.200000
Total energy: -2274.479184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.479184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.326410 (E_RNA)
where:
Base-Base interactions energy: -1610.758
where: short stacking energy: -642.279
Base-Backbone interact. energy: 2.505
local terms energy: -676.073914
where:
bonds (distance) C4'-P energy: -126.134
bonds (distance) P-C4' energy: -119.574
flat angles C4'-P-C4' energy: -148.597
flat angles P-C4'-P energy: -95.798
tors. eta vs tors. theta energy: -185.972
Dist. restrs. and SS energy: 9.847 (S_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: 157
Temperature: 1.250000
Total energy: -2218.000023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.000023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.839877 (E_RNA)
where:
Base-Base interactions energy: -1589.476
where: short stacking energy: -653.291
Base-Backbone interact. energy: -2.125
local terms energy: -642.238463
where:
bonds (distance) C4'-P energy: -113.087
bonds (distance) P-C4' energy: -119.257
flat angles C4'-P-C4' energy: -142.548
flat angles P-C4'-P energy: -80.989
tors. eta vs tors. theta energy: -186.358
Dist. restrs. and SS energy: 15.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -2105.208942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.208942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.982412 (E_RNA)
where:
Base-Base interactions energy: -1490.586
where: short stacking energy: -574.611
Base-Backbone interact. energy: -3.436
local terms energy: -629.959743
where:
bonds (distance) C4'-P energy: -114.597
bonds (distance) P-C4' energy: -118.718
flat angles C4'-P-C4' energy: -135.700
flat angles P-C4'-P energy: -85.327
tors. eta vs tors. theta energy: -175.617
Dist. restrs. and SS energy: 18.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1939.410548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.410548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.793501 (E_RNA)
where:
Base-Base interactions energy: -1401.318
where: short stacking energy: -556.731
Base-Backbone interact. energy: 2.251
local terms energy: -560.726487
where:
bonds (distance) C4'-P energy: -115.498
bonds (distance) P-C4' energy: -92.293
flat angles C4'-P-C4' energy: -122.108
flat angles P-C4'-P energy: -83.625
tors. eta vs tors. theta energy: -147.203
Dist. restrs. and SS energy: 20.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2742.649947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.649947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.954178 (E_RNA)
where:
Base-Base interactions energy: -1939.787
where: short stacking energy: -798.013
Base-Backbone interact. energy: -1.265
local terms energy: -813.902236
where:
bonds (distance) C4'-P energy: -132.205
bonds (distance) P-C4' energy: -137.717
flat angles C4'-P-C4' energy: -168.911
flat angles P-C4'-P energy: -122.859
tors. eta vs tors. theta energy: -252.210
Dist. restrs. and SS energy: 12.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2690.293870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.293870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.986017 (E_RNA)
where:
Base-Base interactions energy: -1900.299
where: short stacking energy: -757.923
Base-Backbone interact. energy: -3.436
local terms energy: -795.251980
where:
bonds (distance) C4'-P energy: -132.657
bonds (distance) P-C4' energy: -146.799
flat angles C4'-P-C4' energy: -166.858
flat angles P-C4'-P energy: -113.449
tors. eta vs tors. theta energy: -235.488
Dist. restrs. and SS energy: 8.692 (S_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: 158
Temperature: 1.000000
Total energy: -2605.357805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.357805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.614557 (E_RNA)
where:
Base-Base interactions energy: -1845.086
where: short stacking energy: -742.361
Base-Backbone interact. energy: -2.529
local terms energy: -760.999465
where:
bonds (distance) C4'-P energy: -120.251
bonds (distance) P-C4' energy: -141.290
flat angles C4'-P-C4' energy: -155.661
flat angles P-C4'-P energy: -108.877
tors. eta vs tors. theta energy: -234.920
Dist. restrs. and SS energy: 3.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2547.832791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.832791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.850461 (E_RNA)
where:
Base-Base interactions energy: -1814.343
where: short stacking energy: -713.205
Base-Backbone interact. energy: -2.156
local terms energy: -742.350962
where:
bonds (distance) C4'-P energy: -121.551
bonds (distance) P-C4' energy: -139.160
flat angles C4'-P-C4' energy: -151.327
flat angles P-C4'-P energy: -101.759
tors. eta vs tors. theta energy: -228.554
Dist. restrs. and SS energy: 11.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2464.266655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.266655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.163529 (E_RNA)
where:
Base-Base interactions energy: -1752.054
where: short stacking energy: -718.257
Base-Backbone interact. energy: -3.074
local terms energy: -719.034866
where:
bonds (distance) C4'-P energy: -122.725
bonds (distance) P-C4' energy: -119.271
flat angles C4'-P-C4' energy: -150.900
flat angles P-C4'-P energy: -98.585
tors. eta vs tors. theta energy: -227.555
Dist. restrs. and SS energy: 9.897 (S_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: 158
Temperature: 1.150000
Total energy: -2368.242387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.242387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.327822 (E_RNA)
where:
Base-Base interactions energy: -1707.469
where: short stacking energy: -681.845
Base-Backbone interact. energy: 0.143
local terms energy: -672.002093
where:
bonds (distance) C4'-P energy: -117.927
bonds (distance) P-C4' energy: -105.136
flat angles C4'-P-C4' energy: -135.953
flat angles P-C4'-P energy: -106.573
tors. eta vs tors. theta energy: -206.413
Dist. restrs. and SS energy: 11.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2299.188634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.188634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.367692 (E_RNA)
where:
Base-Base interactions energy: -1614.816
where: short stacking energy: -656.716
Base-Backbone interact. energy: -1.763
local terms energy: -703.788993
where:
bonds (distance) C4'-P energy: -117.411
bonds (distance) P-C4' energy: -122.072
flat angles C4'-P-C4' energy: -151.350
flat angles P-C4'-P energy: -91.404
tors. eta vs tors. theta energy: -221.552
Dist. restrs. and SS energy: 21.179 (S_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: 158
Temperature: 1.250000
Total energy: -2174.233296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.233296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.714459 (E_RNA)
where:
Base-Base interactions energy: -1559.546
where: short stacking energy: -638.061
Base-Backbone interact. energy: -0.860
local terms energy: -632.307999
where:
bonds (distance) C4'-P energy: -112.523
bonds (distance) P-C4' energy: -91.740
flat angles C4'-P-C4' energy: -142.646
flat angles P-C4'-P energy: -86.496
tors. eta vs tors. theta energy: -198.903
Dist. restrs. and SS energy: 18.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -2083.987476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.987476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.812035 (E_RNA)
where:
Base-Base interactions energy: -1499.209
where: short stacking energy: -593.669
Base-Backbone interact. energy: -2.728
local terms energy: -605.874853
where:
bonds (distance) C4'-P energy: -124.788
bonds (distance) P-C4' energy: -100.399
flat angles C4'-P-C4' energy: -125.434
flat angles P-C4'-P energy: -85.366
tors. eta vs tors. theta energy: -169.889
Dist. restrs. and SS energy: 23.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1979.291829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.291829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.453664 (E_RNA)
where:
Base-Base interactions energy: -1425.687
where: short stacking energy: -556.285
Base-Backbone interact. energy: -0.574
local terms energy: -568.193286
where:
bonds (distance) C4'-P energy: -96.617
bonds (distance) P-C4' energy: -109.721
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -88.035
tors. eta vs tors. theta energy: -158.657
Dist. restrs. and SS energy: 15.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2716.492314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.492314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.271591 (E_RNA)
where:
Base-Base interactions energy: -1935.336
where: short stacking energy: -799.986
Base-Backbone interact. energy: 1.779
local terms energy: -795.714647
where:
bonds (distance) C4'-P energy: -126.602
bonds (distance) P-C4' energy: -138.401
flat angles C4'-P-C4' energy: -167.522
flat angles P-C4'-P energy: -120.403
tors. eta vs tors. theta energy: -242.788
Dist. restrs. and SS energy: 12.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2688.729044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.729044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.775194 (E_RNA)
where:
Base-Base interactions energy: -1921.912
where: short stacking energy: -778.870
Base-Backbone interact. energy: -2.306
local terms energy: -774.557656
where:
bonds (distance) C4'-P energy: -131.201
bonds (distance) P-C4' energy: -128.313
flat angles C4'-P-C4' energy: -166.517
flat angles P-C4'-P energy: -107.389
tors. eta vs tors. theta energy: -241.138
Dist. restrs. and SS energy: 10.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2621.962648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.962648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.162922 (E_RNA)
where:
Base-Base interactions energy: -1857.226
where: short stacking energy: -732.086
Base-Backbone interact. energy: 1.229
local terms energy: -770.165692
where:
bonds (distance) C4'-P energy: -145.706
bonds (distance) P-C4' energy: -125.251
flat angles C4'-P-C4' energy: -140.829
flat angles P-C4'-P energy: -118.516
tors. eta vs tors. theta energy: -239.864
Dist. restrs. and SS energy: 4.200 (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: 159
Temperature: 1.050000
Total energy: -2487.703940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.703940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.760722 (E_RNA)
where:
Base-Base interactions energy: -1779.430
where: short stacking energy: -727.259
Base-Backbone interact. energy: -4.145
local terms energy: -713.186160
where:
bonds (distance) C4'-P energy: -107.226
bonds (distance) P-C4' energy: -131.563
flat angles C4'-P-C4' energy: -153.235
flat angles P-C4'-P energy: -98.649
tors. eta vs tors. theta energy: -222.513
Dist. restrs. and SS energy: 9.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2410.279142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.279142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.493711 (E_RNA)
where:
Base-Base interactions energy: -1719.370
where: short stacking energy: -699.992
Base-Backbone interact. energy: -2.771
local terms energy: -696.353101
where:
bonds (distance) C4'-P energy: -108.601
bonds (distance) P-C4' energy: -123.883
flat angles C4'-P-C4' energy: -149.475
flat angles P-C4'-P energy: -100.492
tors. eta vs tors. theta energy: -213.902
Dist. restrs. and SS energy: 8.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2354.923409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.923409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.598784 (E_RNA)
where:
Base-Base interactions energy: -1701.538
where: short stacking energy: -669.635
Base-Backbone interact. energy: -0.273
local terms energy: -665.787707
where:
bonds (distance) C4'-P energy: -112.920
bonds (distance) P-C4' energy: -107.233
flat angles C4'-P-C4' energy: -140.928
flat angles P-C4'-P energy: -96.271
tors. eta vs tors. theta energy: -208.436
Dist. restrs. and SS energy: 12.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2334.526171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.526171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.368039 (E_RNA)
where:
Base-Base interactions energy: -1660.282
where: short stacking energy: -675.242
Base-Backbone interact. energy: 0.955
local terms energy: -682.040919
where:
bonds (distance) C4'-P energy: -122.191
bonds (distance) P-C4' energy: -126.100
flat angles C4'-P-C4' energy: -136.556
flat angles P-C4'-P energy: -85.776
tors. eta vs tors. theta energy: -211.418
Dist. restrs. and SS energy: 6.842 (S_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: 159
Temperature: 1.250000
Total energy: -2141.743004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.743004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.626408 (E_RNA)
where:
Base-Base interactions energy: -1514.341
where: short stacking energy: -625.197
Base-Backbone interact. energy: -2.265
local terms energy: -637.019521
where:
bonds (distance) C4'-P energy: -97.982
bonds (distance) P-C4' energy: -121.325
flat angles C4'-P-C4' energy: -147.463
flat angles P-C4'-P energy: -92.136
tors. eta vs tors. theta energy: -178.114
Dist. restrs. and SS energy: 11.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -2061.506315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.506315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.092761 (E_RNA)
where:
Base-Base interactions energy: -1482.071
where: short stacking energy: -590.398
Base-Backbone interact. energy: 0.669
local terms energy: -603.690870
where:
bonds (distance) C4'-P energy: -119.567
bonds (distance) P-C4' energy: -107.401
flat angles C4'-P-C4' energy: -123.442
flat angles P-C4'-P energy: -79.916
tors. eta vs tors. theta energy: -173.365
Dist. restrs. and SS energy: 23.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -2010.531530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.531530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.234567 (E_RNA)
where:
Base-Base interactions energy: -1460.827
where: short stacking energy: -592.498
Base-Backbone interact. energy: 0.072
local terms energy: -567.479059
where:
bonds (distance) C4'-P energy: -96.973
bonds (distance) P-C4' energy: -111.325
flat angles C4'-P-C4' energy: -137.965
flat angles P-C4'-P energy: -61.265
tors. eta vs tors. theta energy: -159.951
Dist. restrs. and SS energy: 17.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2718.665339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.665339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.596315 (E_RNA)
where:
Base-Base interactions energy: -1934.646
where: short stacking energy: -802.423
Base-Backbone interact. energy: -0.956
local terms energy: -793.993927
where:
bonds (distance) C4'-P energy: -137.080
bonds (distance) P-C4' energy: -140.477
flat angles C4'-P-C4' energy: -170.047
flat angles P-C4'-P energy: -97.522
tors. eta vs tors. theta energy: -248.867
Dist. restrs. and SS energy: 10.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2684.194827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.194827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.614502 (E_RNA)
where:
Base-Base interactions energy: -1905.993
where: short stacking energy: -773.515
Base-Backbone interact. energy: 1.928
local terms energy: -791.548819
where:
bonds (distance) C4'-P energy: -139.001
bonds (distance) P-C4' energy: -137.001
flat angles C4'-P-C4' energy: -165.708
flat angles P-C4'-P energy: -116.008
tors. eta vs tors. theta energy: -233.830
Dist. restrs. and SS energy: 11.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2576.207034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.207034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.909363 (E_RNA)
where:
Base-Base interactions energy: -1845.149
where: short stacking energy: -748.069
Base-Backbone interact. energy: 1.206
local terms energy: -745.966901
where:
bonds (distance) C4'-P energy: -135.500
bonds (distance) P-C4' energy: -122.600
flat angles C4'-P-C4' energy: -163.427
flat angles P-C4'-P energy: -105.347
tors. eta vs tors. theta energy: -219.093
Dist. restrs. and SS energy: 13.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2570.602053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.602053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.337074 (E_RNA)
where:
Base-Base interactions energy: -1817.383
where: short stacking energy: -750.962
Base-Backbone interact. energy: -1.327
local terms energy: -756.627500
where:
bonds (distance) C4'-P energy: -113.735
bonds (distance) P-C4' energy: -149.903
flat angles C4'-P-C4' energy: -161.504
flat angles P-C4'-P energy: -103.443
tors. eta vs tors. theta energy: -228.043
Dist. restrs. and SS energy: 4.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2477.236318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.236318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.121885 (E_RNA)
where:
Base-Base interactions energy: -1773.275
where: short stacking energy: -714.634
Base-Backbone interact. energy: -2.934
local terms energy: -707.912691
where:
bonds (distance) C4'-P energy: -128.653
bonds (distance) P-C4' energy: -117.789
flat angles C4'-P-C4' energy: -145.164
flat angles P-C4'-P energy: -91.953
tors. eta vs tors. theta energy: -224.353
Dist. restrs. and SS energy: 6.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2365.870133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.870133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.245519 (E_RNA)
where:
Base-Base interactions energy: -1704.585
where: short stacking energy: -686.337
Base-Backbone interact. energy: 4.327
local terms energy: -680.987405
where:
bonds (distance) C4'-P energy: -112.047
bonds (distance) P-C4' energy: -101.369
flat angles C4'-P-C4' energy: -155.273
flat angles P-C4'-P energy: -100.489
tors. eta vs tors. theta energy: -211.810
Dist. restrs. and SS energy: 15.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2292.330948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.330948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.060240 (E_RNA)
where:
Base-Base interactions energy: -1648.132
where: short stacking energy: -671.401
Base-Backbone interact. energy: -0.987
local terms energy: -651.941085
where:
bonds (distance) C4'-P energy: -108.314
bonds (distance) P-C4' energy: -111.559
flat angles C4'-P-C4' energy: -130.290
flat angles P-C4'-P energy: -98.646
tors. eta vs tors. theta energy: -203.133
Dist. restrs. and SS energy: 8.729 (S_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: 160
Temperature: 1.250000
Total energy: -2137.690677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.690677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.665849 (E_RNA)
where:
Base-Base interactions energy: -1489.066
where: short stacking energy: -594.913
Base-Backbone interact. energy: -1.208
local terms energy: -661.391701
where:
bonds (distance) C4'-P energy: -113.261
bonds (distance) P-C4' energy: -120.427
flat angles C4'-P-C4' energy: -140.563
flat angles P-C4'-P energy: -97.849
tors. eta vs tors. theta energy: -189.291
Dist. restrs. and SS energy: 13.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -2064.280227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.280227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.027566 (E_RNA)
where:
Base-Base interactions energy: -1487.800
where: short stacking energy: -578.349
Base-Backbone interact. energy: 2.126
local terms energy: -592.353590
where:
bonds (distance) C4'-P energy: -90.763
bonds (distance) P-C4' energy: -95.211
flat angles C4'-P-C4' energy: -136.337
flat angles P-C4'-P energy: -88.283
tors. eta vs tors. theta energy: -181.760
Dist. restrs. and SS energy: 13.747 (S_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: 160
Temperature: 1.350000
Total energy: -2069.749212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.749212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.019842 (E_RNA)
where:
Base-Base interactions energy: -1464.353
where: short stacking energy: -603.374
Base-Backbone interact. energy: 0.546
local terms energy: -626.212366
where:
bonds (distance) C4'-P energy: -107.369
bonds (distance) P-C4' energy: -122.460
flat angles C4'-P-C4' energy: -126.533
flat angles P-C4'-P energy: -94.097
tors. eta vs tors. theta energy: -175.753
Dist. restrs. and SS energy: 20.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2727.223496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.223496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.571701 (E_RNA)
where:
Base-Base interactions energy: -1956.086
where: short stacking energy: -822.904
Base-Backbone interact. energy: -1.860
local terms energy: -780.625965
where:
bonds (distance) C4'-P energy: -132.630
bonds (distance) P-C4' energy: -125.638
flat angles C4'-P-C4' energy: -157.351
flat angles P-C4'-P energy: -115.363
tors. eta vs tors. theta energy: -249.645
Dist. restrs. and SS energy: 11.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2662.785889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.785889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.539211 (E_RNA)
where:
Base-Base interactions energy: -1880.882
where: short stacking energy: -762.813
Base-Backbone interact. energy: -1.959
local terms energy: -788.697972
where:
bonds (distance) C4'-P energy: -127.895
bonds (distance) P-C4' energy: -151.273
flat angles C4'-P-C4' energy: -158.622
flat angles P-C4'-P energy: -112.894
tors. eta vs tors. theta energy: -238.014
Dist. restrs. and SS energy: 8.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2579.587850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.587850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.201980 (E_RNA)
where:
Base-Base interactions energy: -1838.940
where: short stacking energy: -768.493
Base-Backbone interact. energy: 0.259
local terms energy: -759.521014
where:
bonds (distance) C4'-P energy: -136.199
bonds (distance) P-C4' energy: -125.095
flat angles C4'-P-C4' energy: -161.103
flat angles P-C4'-P energy: -104.800
tors. eta vs tors. theta energy: -232.324
Dist. restrs. and SS energy: 18.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2561.156172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.156172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.190441 (E_RNA)
where:
Base-Base interactions energy: -1820.132
where: short stacking energy: -723.642
Base-Backbone interact. energy: 0.650
local terms energy: -744.708872
where:
bonds (distance) C4'-P energy: -124.766
bonds (distance) P-C4' energy: -133.910
flat angles C4'-P-C4' energy: -146.220
flat angles P-C4'-P energy: -106.278
tors. eta vs tors. theta energy: -233.535
Dist. restrs. and SS energy: 3.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2457.963325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.963325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.882215 (E_RNA)
where:
Base-Base interactions energy: -1758.503
where: short stacking energy: -723.001
Base-Backbone interact. energy: -3.135
local terms energy: -706.243369
where:
bonds (distance) C4'-P energy: -97.479
bonds (distance) P-C4' energy: -115.270
flat angles C4'-P-C4' energy: -160.047
flat angles P-C4'-P energy: -108.098
tors. eta vs tors. theta energy: -225.349
Dist. restrs. and SS energy: 9.919 (S_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: 161
Temperature: 1.150000
Total energy: -2404.271266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.271266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.889016 (E_RNA)
where:
Base-Base interactions energy: -1682.709
where: short stacking energy: -706.146
Base-Backbone interact. energy: -3.503
local terms energy: -731.677056
where:
bonds (distance) C4'-P energy: -138.399
bonds (distance) P-C4' energy: -122.838
flat angles C4'-P-C4' energy: -150.617
flat angles P-C4'-P energy: -90.492
tors. eta vs tors. theta energy: -229.332
Dist. restrs. and SS energy: 13.618 (S_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: 161
Temperature: 1.200000
Total energy: -2312.372422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.372422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.384487 (E_RNA)
where:
Base-Base interactions energy: -1648.537
where: short stacking energy: -673.226
Base-Backbone interact. energy: -1.673
local terms energy: -677.174184
where:
bonds (distance) C4'-P energy: -109.011
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -133.618
flat angles P-C4'-P energy: -106.514
tors. eta vs tors. theta energy: -206.184
Dist. restrs. and SS energy: 15.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -2108.908756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.908756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.314324 (E_RNA)
where:
Base-Base interactions energy: -1500.098
where: short stacking energy: -602.909
Base-Backbone interact. energy: 0.663
local terms energy: -623.880137
where:
bonds (distance) C4'-P energy: -107.673
bonds (distance) P-C4' energy: -112.078
flat angles C4'-P-C4' energy: -136.652
flat angles P-C4'-P energy: -81.372
tors. eta vs tors. theta energy: -186.105
Dist. restrs. and SS energy: 14.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -2058.017029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.017029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.456905 (E_RNA)
where:
Base-Base interactions energy: -1481.730
where: short stacking energy: -587.714
Base-Backbone interact. energy: 8.203
local terms energy: -597.929986
where:
bonds (distance) C4'-P energy: -100.156
bonds (distance) P-C4' energy: -106.484
flat angles C4'-P-C4' energy: -137.322
flat angles P-C4'-P energy: -77.584
tors. eta vs tors. theta energy: -176.385
Dist. restrs. and SS energy: 13.440 (S_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: 161
Temperature: 1.350000
Total energy: -1974.963325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.963325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.751885 (E_RNA)
where:
Base-Base interactions energy: -1431.700
where: short stacking energy: -583.406
Base-Backbone interact. energy: 1.236
local terms energy: -561.288629
where:
bonds (distance) C4'-P energy: -91.870
bonds (distance) P-C4' energy: -101.691
flat angles C4'-P-C4' energy: -128.198
flat angles P-C4'-P energy: -59.706
tors. eta vs tors. theta energy: -179.824
Dist. restrs. and SS energy: 16.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2727.503141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.503141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.313060 (E_RNA)
where:
Base-Base interactions energy: -1932.693
where: short stacking energy: -817.254
Base-Backbone interact. energy: -1.365
local terms energy: -806.254404
where:
bonds (distance) C4'-P energy: -137.015
bonds (distance) P-C4' energy: -145.154
flat angles C4'-P-C4' energy: -163.924
flat angles P-C4'-P energy: -111.748
tors. eta vs tors. theta energy: -248.414
Dist. restrs. and SS energy: 12.810 (S_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: 162
Temperature: 0.950000
Total energy: -2654.450206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.450206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.636011 (E_RNA)
where:
Base-Base interactions energy: -1866.619
where: short stacking energy: -775.778
Base-Backbone interact. energy: -2.395
local terms energy: -796.621897
where:
bonds (distance) C4'-P energy: -153.567
bonds (distance) P-C4' energy: -126.348
flat angles C4'-P-C4' energy: -171.950
flat angles P-C4'-P energy: -107.911
tors. eta vs tors. theta energy: -236.846
Dist. restrs. and SS energy: 11.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2620.047268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.047268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.020992 (E_RNA)
where:
Base-Base interactions energy: -1842.278
where: short stacking energy: -754.725
Base-Backbone interact. energy: -2.981
local terms energy: -776.761591
where:
bonds (distance) C4'-P energy: -127.481
bonds (distance) P-C4' energy: -139.674
flat angles C4'-P-C4' energy: -156.627
flat angles P-C4'-P energy: -117.270
tors. eta vs tors. theta energy: -235.710
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2546.339946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.339946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.934737 (E_RNA)
where:
Base-Base interactions energy: -1784.994
where: short stacking energy: -717.404
Base-Backbone interact. energy: 1.872
local terms energy: -770.813099
where:
bonds (distance) C4'-P energy: -126.098
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -162.346
flat angles P-C4'-P energy: -115.597
tors. eta vs tors. theta energy: -225.354
Dist. restrs. and SS energy: 7.595 (S_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: 162
Temperature: 1.100000
Total energy: -2503.073291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.073291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.308287 (E_RNA)
where:
Base-Base interactions energy: -1759.621
where: short stacking energy: -713.773
Base-Backbone interact. energy: -0.174
local terms energy: -752.513568
where:
bonds (distance) C4'-P energy: -137.529
bonds (distance) P-C4' energy: -111.900
flat angles C4'-P-C4' energy: -156.548
flat angles P-C4'-P energy: -111.068
tors. eta vs tors. theta energy: -235.469
Dist. restrs. and SS energy: 9.235 (S_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: 162
Temperature: 1.150000
Total energy: -2366.627418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.627418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.762097 (E_RNA)
where:
Base-Base interactions energy: -1679.357
where: short stacking energy: -680.249
Base-Backbone interact. energy: -1.544
local terms energy: -698.860467
where:
bonds (distance) C4'-P energy: -108.475
bonds (distance) P-C4' energy: -130.236
flat angles C4'-P-C4' energy: -152.138
flat angles P-C4'-P energy: -90.337
tors. eta vs tors. theta energy: -217.675
Dist. restrs. and SS energy: 13.135 (S_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: 162
Temperature: 1.200000
Total energy: -2264.865665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.865665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.627773 (E_RNA)
where:
Base-Base interactions energy: -1615.921
where: short stacking energy: -638.844
Base-Backbone interact. energy: -2.099
local terms energy: -657.607442
where:
bonds (distance) C4'-P energy: -108.867
bonds (distance) P-C4' energy: -129.982
flat angles C4'-P-C4' energy: -126.545
flat angles P-C4'-P energy: -94.239
tors. eta vs tors. theta energy: -197.974
Dist. restrs. and SS energy: 10.762 (S_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: 162
Temperature: 1.250000
Total energy: -2193.001573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.001573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.986585 (E_RNA)
where:
Base-Base interactions energy: -1554.232
where: short stacking energy: -648.738
Base-Backbone interact. energy: 3.661
local terms energy: -655.416023
where:
bonds (distance) C4'-P energy: -121.380
bonds (distance) P-C4' energy: -119.923
flat angles C4'-P-C4' energy: -128.441
flat angles P-C4'-P energy: -86.203
tors. eta vs tors. theta energy: -199.469
Dist. restrs. and SS energy: 12.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -2087.357353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.357353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.636724 (E_RNA)
where:
Base-Base interactions energy: -1474.909
where: short stacking energy: -574.863
Base-Backbone interact. energy: -2.736
local terms energy: -624.991256
where:
bonds (distance) C4'-P energy: -123.215
bonds (distance) P-C4' energy: -100.372
flat angles C4'-P-C4' energy: -156.054
flat angles P-C4'-P energy: -68.521
tors. eta vs tors. theta energy: -176.829
Dist. restrs. and SS energy: 15.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -2013.229284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.229284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.675735 (E_RNA)
where:
Base-Base interactions energy: -1419.772
where: short stacking energy: -567.156
Base-Backbone interact. energy: 1.457
local terms energy: -623.360710
where:
bonds (distance) C4'-P energy: -116.431
bonds (distance) P-C4' energy: -108.733
flat angles C4'-P-C4' energy: -140.161
flat angles P-C4'-P energy: -88.234
tors. eta vs tors. theta energy: -169.802
Dist. restrs. and SS energy: 28.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2739.364183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.364183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.194203 (E_RNA)
where:
Base-Base interactions energy: -1954.400
where: short stacking energy: -807.217
Base-Backbone interact. energy: -1.986
local terms energy: -791.808209
where:
bonds (distance) C4'-P energy: -127.697
bonds (distance) P-C4' energy: -136.683
flat angles C4'-P-C4' energy: -174.939
flat angles P-C4'-P energy: -107.272
tors. eta vs tors. theta energy: -245.218
Dist. restrs. and SS energy: 8.830 (S_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: 163
Temperature: 0.950000
Total energy: -2650.144609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.144609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.568997 (E_RNA)
where:
Base-Base interactions energy: -1904.516
where: short stacking energy: -777.202
Base-Backbone interact. energy: -1.273
local terms energy: -755.780184
where:
bonds (distance) C4'-P energy: -134.114
bonds (distance) P-C4' energy: -116.952
flat angles C4'-P-C4' energy: -156.315
flat angles P-C4'-P energy: -116.048
tors. eta vs tors. theta energy: -232.352
Dist. restrs. and SS energy: 11.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2596.022036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.022036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.573991 (E_RNA)
where:
Base-Base interactions energy: -1817.619
where: short stacking energy: -744.020
Base-Backbone interact. energy: -1.878
local terms energy: -781.076835
where:
bonds (distance) C4'-P energy: -142.728
bonds (distance) P-C4' energy: -150.720
flat angles C4'-P-C4' energy: -147.672
flat angles P-C4'-P energy: -110.536
tors. eta vs tors. theta energy: -229.421
Dist. restrs. and SS energy: 4.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2529.713546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.713546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.801655 (E_RNA)
where:
Base-Base interactions energy: -1820.170
where: short stacking energy: -736.930
Base-Backbone interact. energy: -1.938
local terms energy: -723.693079
where:
bonds (distance) C4'-P energy: -134.078
bonds (distance) P-C4' energy: -115.382
flat angles C4'-P-C4' energy: -140.515
flat angles P-C4'-P energy: -112.606
tors. eta vs tors. theta energy: -221.113
Dist. restrs. and SS energy: 16.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2484.009471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.009471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.047520 (E_RNA)
where:
Base-Base interactions energy: -1772.309
where: short stacking energy: -733.016
Base-Backbone interact. energy: -3.106
local terms energy: -720.632610
where:
bonds (distance) C4'-P energy: -125.562
bonds (distance) P-C4' energy: -132.817
flat angles C4'-P-C4' energy: -136.865
flat angles P-C4'-P energy: -97.916
tors. eta vs tors. theta energy: -227.473
Dist. restrs. and SS energy: 12.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2342.022754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.022754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.262062 (E_RNA)
where:
Base-Base interactions energy: -1671.486
where: short stacking energy: -686.897
Base-Backbone interact. energy: 0.371
local terms energy: -680.146942
where:
bonds (distance) C4'-P energy: -122.839
bonds (distance) P-C4' energy: -117.680
flat angles C4'-P-C4' energy: -141.390
flat angles P-C4'-P energy: -84.410
tors. eta vs tors. theta energy: -213.829
Dist. restrs. and SS energy: 9.239 (S_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: 163
Temperature: 1.200000
Total energy: -2319.063464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.063464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.701564 (E_RNA)
where:
Base-Base interactions energy: -1653.728
where: short stacking energy: -672.597
Base-Backbone interact. energy: 1.558
local terms energy: -679.531555
where:
bonds (distance) C4'-P energy: -118.756
bonds (distance) P-C4' energy: -114.018
flat angles C4'-P-C4' energy: -134.682
flat angles P-C4'-P energy: -94.580
tors. eta vs tors. theta energy: -217.495
Dist. restrs. and SS energy: 12.638 (S_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: 163
Temperature: 1.250000
Total energy: -2169.748349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.748349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.001552 (E_RNA)
where:
Base-Base interactions energy: -1551.493
where: short stacking energy: -626.829
Base-Backbone interact. energy: -2.404
local terms energy: -633.104856
where:
bonds (distance) C4'-P energy: -112.173
bonds (distance) P-C4' energy: -120.123
flat angles C4'-P-C4' energy: -138.141
flat angles P-C4'-P energy: -80.347
tors. eta vs tors. theta energy: -182.320
Dist. restrs. and SS energy: 17.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -2101.205622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.205622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.198992 (E_RNA)
where:
Base-Base interactions energy: -1500.147
where: short stacking energy: -588.140
Base-Backbone interact. energy: -2.104
local terms energy: -619.948122
where:
bonds (distance) C4'-P energy: -103.141
bonds (distance) P-C4' energy: -125.668
flat angles C4'-P-C4' energy: -119.673
flat angles P-C4'-P energy: -91.265
tors. eta vs tors. theta energy: -180.202
Dist. restrs. and SS energy: 20.993 (S_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: 163
Temperature: 1.350000
Total energy: -1974.134148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.134148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.693798 (E_RNA)
where:
Base-Base interactions energy: -1407.187
where: short stacking energy: -578.678
Base-Backbone interact. energy: -2.747
local terms energy: -592.759615
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -99.072
flat angles C4'-P-C4' energy: -131.766
flat angles P-C4'-P energy: -78.653
tors. eta vs tors. theta energy: -175.555
Dist. restrs. and SS energy: 28.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2756.336112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.336112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.931052 (E_RNA)
where:
Base-Base interactions energy: -1950.243
where: short stacking energy: -810.288
Base-Backbone interact. energy: -1.213
local terms energy: -816.475660
where:
bonds (distance) C4'-P energy: -141.349
bonds (distance) P-C4' energy: -147.570
flat angles C4'-P-C4' energy: -169.879
flat angles P-C4'-P energy: -111.612
tors. eta vs tors. theta energy: -246.066
Dist. restrs. and SS energy: 11.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2655.022408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.022408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.017345 (E_RNA)
where:
Base-Base interactions energy: -1890.150
where: short stacking energy: -762.474
Base-Backbone interact. energy: -3.650
local terms energy: -773.217639
where:
bonds (distance) C4'-P energy: -119.028
bonds (distance) P-C4' energy: -149.271
flat angles C4'-P-C4' energy: -169.516
flat angles P-C4'-P energy: -108.215
tors. eta vs tors. theta energy: -227.188
Dist. restrs. and SS energy: 11.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2589.460444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.460444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.047202 (E_RNA)
where:
Base-Base interactions energy: -1837.344
where: short stacking energy: -754.553
Base-Backbone interact. energy: -2.975
local terms energy: -762.728390
where:
bonds (distance) C4'-P energy: -132.338
bonds (distance) P-C4' energy: -139.790
flat angles C4'-P-C4' energy: -157.219
flat angles P-C4'-P energy: -100.601
tors. eta vs tors. theta energy: -232.780
Dist. restrs. and SS energy: 13.587 (S_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: 164
Temperature: 1.050000
Total energy: -2591.949141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.949141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.107807 (E_RNA)
where:
Base-Base interactions energy: -1840.622
where: short stacking energy: -754.290
Base-Backbone interact. energy: -0.366
local terms energy: -755.119785
where:
bonds (distance) C4'-P energy: -133.868
bonds (distance) P-C4' energy: -130.327
flat angles C4'-P-C4' energy: -158.215
flat angles P-C4'-P energy: -104.218
tors. eta vs tors. theta energy: -228.493
Dist. restrs. and SS energy: 4.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2451.399415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.399415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.876944 (E_RNA)
where:
Base-Base interactions energy: -1759.091
where: short stacking energy: -733.432
Base-Backbone interact. energy: 0.492
local terms energy: -704.277243
where:
bonds (distance) C4'-P energy: -107.210
bonds (distance) P-C4' energy: -121.344
flat angles C4'-P-C4' energy: -148.290
flat angles P-C4'-P energy: -103.215
tors. eta vs tors. theta energy: -224.218
Dist. restrs. and SS energy: 11.478 (S_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: 164
Temperature: 1.150000
Total energy: -2303.405819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.405819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.264543 (E_RNA)
where:
Base-Base interactions energy: -1654.509
where: short stacking energy: -662.565
Base-Backbone interact. energy: -2.895
local terms energy: -661.859895
where:
bonds (distance) C4'-P energy: -116.899
bonds (distance) P-C4' energy: -134.787
flat angles C4'-P-C4' energy: -125.144
flat angles P-C4'-P energy: -84.026
tors. eta vs tors. theta energy: -201.004
Dist. restrs. and SS energy: 15.859 (S_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: 164
Temperature: 1.200000
Total energy: -2372.640019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.640019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.027167 (E_RNA)
where:
Base-Base interactions energy: -1704.378
where: short stacking energy: -698.636
Base-Backbone interact. energy: -1.597
local terms energy: -680.052979
where:
bonds (distance) C4'-P energy: -106.703
bonds (distance) P-C4' energy: -118.961
flat angles C4'-P-C4' energy: -142.601
flat angles P-C4'-P energy: -93.575
tors. eta vs tors. theta energy: -218.213
Dist. restrs. and SS energy: 13.387 (S_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: 164
Temperature: 1.250000
Total energy: -2212.558481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.558481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.028540 (E_RNA)
where:
Base-Base interactions energy: -1608.973
where: short stacking energy: -629.417
Base-Backbone interact. energy: -0.599
local terms energy: -616.456876
where:
bonds (distance) C4'-P energy: -103.523
bonds (distance) P-C4' energy: -97.706
flat angles C4'-P-C4' energy: -124.202
flat angles P-C4'-P energy: -87.526
tors. eta vs tors. theta energy: -203.500
Dist. restrs. and SS energy: 13.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -2015.324894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.324894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.082877 (E_RNA)
where:
Base-Base interactions energy: -1436.294
where: short stacking energy: -584.575
Base-Backbone interact. energy: -1.734
local terms energy: -597.054735
where:
bonds (distance) C4'-P energy: -110.255
bonds (distance) P-C4' energy: -96.134
flat angles C4'-P-C4' energy: -130.120
flat angles P-C4'-P energy: -87.485
tors. eta vs tors. theta energy: -173.060
Dist. restrs. and SS energy: 19.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -2015.422986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.422986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.351793 (E_RNA)
where:
Base-Base interactions energy: -1463.154
where: short stacking energy: -583.788
Base-Backbone interact. energy: 1.501
local terms energy: -565.698634
where:
bonds (distance) C4'-P energy: -104.297
bonds (distance) P-C4' energy: -105.614
flat angles C4'-P-C4' energy: -109.014
flat angles P-C4'-P energy: -80.941
tors. eta vs tors. theta energy: -165.832
Dist. restrs. and SS energy: 11.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2734.538820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.538820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.849634 (E_RNA)
where:
Base-Base interactions energy: -1936.023
where: short stacking energy: -815.169
Base-Backbone interact. energy: -1.302
local terms energy: -807.524449
where:
bonds (distance) C4'-P energy: -135.157
bonds (distance) P-C4' energy: -132.524
flat angles C4'-P-C4' energy: -169.953
flat angles P-C4'-P energy: -119.688
tors. eta vs tors. theta energy: -250.201
Dist. restrs. and SS energy: 10.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2652.929880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.929880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.890497 (E_RNA)
where:
Base-Base interactions energy: -1874.459
where: short stacking energy: -753.209
Base-Backbone interact. energy: -1.372
local terms energy: -791.059307
where:
bonds (distance) C4'-P energy: -144.788
bonds (distance) P-C4' energy: -132.395
flat angles C4'-P-C4' energy: -163.041
flat angles P-C4'-P energy: -112.438
tors. eta vs tors. theta energy: -238.397
Dist. restrs. and SS energy: 13.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2577.025623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.025623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.452195 (E_RNA)
where:
Base-Base interactions energy: -1838.878
where: short stacking energy: -753.599
Base-Backbone interact. energy: -1.369
local terms energy: -747.205658
where:
bonds (distance) C4'-P energy: -141.671
bonds (distance) P-C4' energy: -120.157
flat angles C4'-P-C4' energy: -166.485
flat angles P-C4'-P energy: -90.096
tors. eta vs tors. theta energy: -228.798
Dist. restrs. and SS energy: 10.427 (S_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: 165
Temperature: 1.050000
Total energy: -2558.740234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.740234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.072473 (E_RNA)
where:
Base-Base interactions energy: -1803.348
where: short stacking energy: -730.764
Base-Backbone interact. energy: -3.202
local terms energy: -759.522629
where:
bonds (distance) C4'-P energy: -115.342
bonds (distance) P-C4' energy: -146.294
flat angles C4'-P-C4' energy: -155.383
flat angles P-C4'-P energy: -112.593
tors. eta vs tors. theta energy: -229.911
Dist. restrs. and SS energy: 7.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2448.130195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.130195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.803785 (E_RNA)
where:
Base-Base interactions energy: -1747.253
where: short stacking energy: -731.978
Base-Backbone interact. energy: -1.249
local terms energy: -714.301157
where:
bonds (distance) C4'-P energy: -120.167
bonds (distance) P-C4' energy: -119.433
flat angles C4'-P-C4' energy: -153.004
flat angles P-C4'-P energy: -97.003
tors. eta vs tors. theta energy: -224.694
Dist. restrs. and SS energy: 14.674 (S_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: 165
Temperature: 1.150000
Total energy: -2432.605047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.605047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.486510 (E_RNA)
where:
Base-Base interactions energy: -1734.950
where: short stacking energy: -708.031
Base-Backbone interact. energy: -0.624
local terms energy: -708.913316
where:
bonds (distance) C4'-P energy: -106.276
bonds (distance) P-C4' energy: -124.701
flat angles C4'-P-C4' energy: -157.574
flat angles P-C4'-P energy: -96.981
tors. eta vs tors. theta energy: -223.380
Dist. restrs. and SS energy: 11.881 (S_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: 165
Temperature: 1.200000
Total energy: -2256.849247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.849247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.859641 (E_RNA)
where:
Base-Base interactions energy: -1620.814
where: short stacking energy: -638.713
Base-Backbone interact. energy: -1.369
local terms energy: -642.676817
where:
bonds (distance) C4'-P energy: -108.569
bonds (distance) P-C4' energy: -117.003
flat angles C4'-P-C4' energy: -127.018
flat angles P-C4'-P energy: -93.939
tors. eta vs tors. theta energy: -196.148
Dist. restrs. and SS energy: 8.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2176.311628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.311628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.064535 (E_RNA)
where:
Base-Base interactions energy: -1563.597
where: short stacking energy: -623.139
Base-Backbone interact. energy: -0.756
local terms energy: -624.710930
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -117.453
flat angles C4'-P-C4' energy: -120.089
flat angles P-C4'-P energy: -82.808
tors. eta vs tors. theta energy: -200.091
Dist. restrs. and SS energy: 12.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -2027.700893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.700893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.972830 (E_RNA)
where:
Base-Base interactions energy: -1453.703
where: short stacking energy: -585.835
Base-Backbone interact. energy: -1.108
local terms energy: -588.161510
where:
bonds (distance) C4'-P energy: -106.366
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -137.078
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: -170.606
Dist. restrs. and SS energy: 15.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -2028.119355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.119355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.001000 (E_RNA)
where:
Base-Base interactions energy: -1457.599
where: short stacking energy: -604.263
Base-Backbone interact. energy: -0.035
local terms energy: -591.367545
where:
bonds (distance) C4'-P energy: -105.425
bonds (distance) P-C4' energy: -90.505
flat angles C4'-P-C4' energy: -117.039
flat angles P-C4'-P energy: -94.632
tors. eta vs tors. theta energy: -183.767
Dist. restrs. and SS energy: 20.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2729.631316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.631316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.375516 (E_RNA)
where:
Base-Base interactions energy: -1928.467
where: short stacking energy: -800.366
Base-Backbone interact. energy: -1.805
local terms energy: -811.104103
where:
bonds (distance) C4'-P energy: -139.745
bonds (distance) P-C4' energy: -149.915
flat angles C4'-P-C4' energy: -163.984
flat angles P-C4'-P energy: -112.529
tors. eta vs tors. theta energy: -244.931
Dist. restrs. and SS energy: 11.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2660.917851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.917851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.365403 (E_RNA)
where:
Base-Base interactions energy: -1884.176
where: short stacking energy: -768.138
Base-Backbone interact. energy: -2.091
local terms energy: -784.097902
where:
bonds (distance) C4'-P energy: -131.434
bonds (distance) P-C4' energy: -134.300
flat angles C4'-P-C4' energy: -162.365
flat angles P-C4'-P energy: -117.753
tors. eta vs tors. theta energy: -238.246
Dist. restrs. and SS energy: 9.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2631.942125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.942125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.730883 (E_RNA)
where:
Base-Base interactions energy: -1855.855
where: short stacking energy: -772.131
Base-Backbone interact. energy: 2.031
local terms energy: -784.906640
where:
bonds (distance) C4'-P energy: -130.785
bonds (distance) P-C4' energy: -134.162
flat angles C4'-P-C4' energy: -165.119
flat angles P-C4'-P energy: -108.584
tors. eta vs tors. theta energy: -246.257
Dist. restrs. and SS energy: 6.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2557.103458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.103458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.655461 (E_RNA)
where:
Base-Base interactions energy: -1801.665
where: short stacking energy: -729.303
Base-Backbone interact. energy: -1.793
local terms energy: -767.197159
where:
bonds (distance) C4'-P energy: -140.878
bonds (distance) P-C4' energy: -124.183
flat angles C4'-P-C4' energy: -163.952
flat angles P-C4'-P energy: -102.929
tors. eta vs tors. theta energy: -235.256
Dist. restrs. and SS energy: 13.552 (S_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: 166
Temperature: 1.100000
Total energy: -2494.150867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.150867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.201790 (E_RNA)
where:
Base-Base interactions energy: -1794.386
where: short stacking energy: -748.264
Base-Backbone interact. energy: 0.132
local terms energy: -709.947337
where:
bonds (distance) C4'-P energy: -103.055
bonds (distance) P-C4' energy: -134.305
flat angles C4'-P-C4' energy: -145.448
flat angles P-C4'-P energy: -91.779
tors. eta vs tors. theta energy: -235.359
Dist. restrs. and SS energy: 10.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2448.256303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.256303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.296431 (E_RNA)
where:
Base-Base interactions energy: -1727.911
where: short stacking energy: -707.218
Base-Backbone interact. energy: -1.942
local terms energy: -732.443457
where:
bonds (distance) C4'-P energy: -115.836
bonds (distance) P-C4' energy: -135.097
flat angles C4'-P-C4' energy: -147.677
flat angles P-C4'-P energy: -110.013
tors. eta vs tors. theta energy: -223.822
Dist. restrs. and SS energy: 14.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2319.693328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.693328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.754666 (E_RNA)
where:
Base-Base interactions energy: -1655.810
where: short stacking energy: -668.075
Base-Backbone interact. energy: -2.055
local terms energy: -668.889651
where:
bonds (distance) C4'-P energy: -119.216
bonds (distance) P-C4' energy: -112.068
flat angles C4'-P-C4' energy: -143.118
flat angles P-C4'-P energy: -85.528
tors. eta vs tors. theta energy: -208.959
Dist. restrs. and SS energy: 7.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2181.550679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.550679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.476535 (E_RNA)
where:
Base-Base interactions energy: -1553.072
where: short stacking energy: -606.296
Base-Backbone interact. energy: -4.638
local terms energy: -631.766264
where:
bonds (distance) C4'-P energy: -99.952
bonds (distance) P-C4' energy: -111.785
flat angles C4'-P-C4' energy: -137.976
flat angles P-C4'-P energy: -92.089
tors. eta vs tors. theta energy: -189.963
Dist. restrs. and SS energy: 7.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -2164.958937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.958937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.837351 (E_RNA)
where:
Base-Base interactions energy: -1519.553
where: short stacking energy: -608.633
Base-Backbone interact. energy: -1.880
local terms energy: -652.404380
where:
bonds (distance) C4'-P energy: -114.419
bonds (distance) P-C4' energy: -121.802
flat angles C4'-P-C4' energy: -122.257
flat angles P-C4'-P energy: -97.507
tors. eta vs tors. theta energy: -196.419
Dist. restrs. and SS energy: 8.878 (S_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: 166
Temperature: 1.350000
Total energy: -2030.516242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.516242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.017510 (E_RNA)
where:
Base-Base interactions energy: -1471.896
where: short stacking energy: -579.099
Base-Backbone interact. energy: -3.506
local terms energy: -575.615417
where:
bonds (distance) C4'-P energy: -102.273
bonds (distance) P-C4' energy: -102.509
flat angles C4'-P-C4' energy: -131.029
flat angles P-C4'-P energy: -82.858
tors. eta vs tors. theta energy: -156.946
Dist. restrs. and SS energy: 20.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2721.745948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.745948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.537286 (E_RNA)
where:
Base-Base interactions energy: -1929.635
where: short stacking energy: -805.554
Base-Backbone interact. energy: -3.615
local terms energy: -802.287265
where:
bonds (distance) C4'-P energy: -139.171
bonds (distance) P-C4' energy: -137.390
flat angles C4'-P-C4' energy: -157.461
flat angles P-C4'-P energy: -115.836
tors. eta vs tors. theta energy: -252.430
Dist. restrs. and SS energy: 13.791 (S_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: 167
Temperature: 0.950000
Total energy: -2666.597721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.597721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.604327 (E_RNA)
where:
Base-Base interactions energy: -1891.057
where: short stacking energy: -759.196
Base-Backbone interact. energy: -0.924
local terms energy: -782.622939
where:
bonds (distance) C4'-P energy: -134.041
bonds (distance) P-C4' energy: -140.388
flat angles C4'-P-C4' energy: -162.235
flat angles P-C4'-P energy: -106.501
tors. eta vs tors. theta energy: -239.459
Dist. restrs. and SS energy: 8.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2667.394675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.394675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.118499 (E_RNA)
where:
Base-Base interactions energy: -1878.002
where: short stacking energy: -773.959
Base-Backbone interact. energy: -0.493
local terms energy: -795.623015
where:
bonds (distance) C4'-P energy: -135.173
bonds (distance) P-C4' energy: -128.541
flat angles C4'-P-C4' energy: -170.353
flat angles P-C4'-P energy: -108.693
tors. eta vs tors. theta energy: -252.863
Dist. restrs. and SS energy: 6.724 (S_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: 167
Temperature: 1.050000
Total energy: -2535.407049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.407049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.308066 (E_RNA)
where:
Base-Base interactions energy: -1783.154
where: short stacking energy: -729.447
Base-Backbone interact. energy: -2.195
local terms energy: -759.958750
where:
bonds (distance) C4'-P energy: -137.705
bonds (distance) P-C4' energy: -122.072
flat angles C4'-P-C4' energy: -151.337
flat angles P-C4'-P energy: -124.697
tors. eta vs tors. theta energy: -224.147
Dist. restrs. and SS energy: 9.901 (S_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: 167
Temperature: 1.100000
Total energy: -2472.625792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.625792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.702688 (E_RNA)
where:
Base-Base interactions energy: -1773.865
where: short stacking energy: -734.496
Base-Backbone interact. energy: -0.199
local terms energy: -708.639348
where:
bonds (distance) C4'-P energy: -123.809
bonds (distance) P-C4' energy: -117.404
flat angles C4'-P-C4' energy: -153.164
flat angles P-C4'-P energy: -89.407
tors. eta vs tors. theta energy: -224.856
Dist. restrs. and SS energy: 10.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2392.826520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.826520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.544287 (E_RNA)
where:
Base-Base interactions energy: -1704.127
where: short stacking energy: -710.746
Base-Backbone interact. energy: -0.514
local terms energy: -700.903238
where:
bonds (distance) C4'-P energy: -112.204
bonds (distance) P-C4' energy: -129.875
flat angles C4'-P-C4' energy: -154.035
flat angles P-C4'-P energy: -93.854
tors. eta vs tors. theta energy: -210.935
Dist. restrs. and SS energy: 12.718 (S_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: 167
Temperature: 1.200000
Total energy: -2355.393601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.393601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.624554 (E_RNA)
where:
Base-Base interactions energy: -1667.871
where: short stacking energy: -660.640
Base-Backbone interact. energy: -0.034
local terms energy: -697.719849
where:
bonds (distance) C4'-P energy: -117.848
bonds (distance) P-C4' energy: -115.157
flat angles C4'-P-C4' energy: -134.559
flat angles P-C4'-P energy: -111.668
tors. eta vs tors. theta energy: -218.488
Dist. restrs. and SS energy: 10.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2205.083581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.083581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.327066 (E_RNA)
where:
Base-Base interactions energy: -1580.285
where: short stacking energy: -655.344
Base-Backbone interact. energy: 8.047
local terms energy: -644.088725
where:
bonds (distance) C4'-P energy: -111.550
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -137.350
flat angles P-C4'-P energy: -83.240
tors. eta vs tors. theta energy: -205.978
Dist. restrs. and SS energy: 11.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -2156.107454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.107454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.871249 (E_RNA)
where:
Base-Base interactions energy: -1551.590
where: short stacking energy: -629.884
Base-Backbone interact. energy: 2.515
local terms energy: -617.796651
where:
bonds (distance) C4'-P energy: -113.266
bonds (distance) P-C4' energy: -114.751
flat angles C4'-P-C4' energy: -119.398
flat angles P-C4'-P energy: -79.068
tors. eta vs tors. theta energy: -191.314
Dist. restrs. and SS energy: 10.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -1920.750337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.750337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.563139 (E_RNA)
where:
Base-Base interactions energy: -1392.139
where: short stacking energy: -556.316
Base-Backbone interact. energy: 6.437
local terms energy: -547.861776
where:
bonds (distance) C4'-P energy: -96.010
bonds (distance) P-C4' energy: -93.464
flat angles C4'-P-C4' energy: -123.780
flat angles P-C4'-P energy: -64.635
tors. eta vs tors. theta energy: -169.972
Dist. restrs. and SS energy: 12.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2742.863879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.863879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.183257 (E_RNA)
where:
Base-Base interactions energy: -1950.455
where: short stacking energy: -825.261
Base-Backbone interact. energy: -1.681
local terms energy: -804.048046
where:
bonds (distance) C4'-P energy: -134.000
bonds (distance) P-C4' energy: -135.025
flat angles C4'-P-C4' energy: -160.434
flat angles P-C4'-P energy: -118.577
tors. eta vs tors. theta energy: -256.012
Dist. restrs. and SS energy: 13.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2678.913826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.913826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.760757 (E_RNA)
where:
Base-Base interactions energy: -1889.391
where: short stacking energy: -763.303
Base-Backbone interact. energy: -1.459
local terms energy: -797.910332
where:
bonds (distance) C4'-P energy: -137.763
bonds (distance) P-C4' energy: -142.645
flat angles C4'-P-C4' energy: -156.915
flat angles P-C4'-P energy: -128.048
tors. eta vs tors. theta energy: -232.539
Dist. restrs. and SS energy: 9.847 (S_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: 168
Temperature: 1.000000
Total energy: -2621.849081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.849081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.109523 (E_RNA)
where:
Base-Base interactions energy: -1840.967
where: short stacking energy: -746.986
Base-Backbone interact. energy: 0.237
local terms energy: -790.379379
where:
bonds (distance) C4'-P energy: -143.325
bonds (distance) P-C4' energy: -135.991
flat angles C4'-P-C4' energy: -162.915
flat angles P-C4'-P energy: -109.275
tors. eta vs tors. theta energy: -238.873
Dist. restrs. and SS energy: 9.260 (S_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: 168
Temperature: 1.050000
Total energy: -2523.991362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.991362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.052947 (E_RNA)
where:
Base-Base interactions energy: -1760.591
where: short stacking energy: -728.942
Base-Backbone interact. energy: -2.138
local terms energy: -771.323304
where:
bonds (distance) C4'-P energy: -133.462
bonds (distance) P-C4' energy: -147.072
flat angles C4'-P-C4' energy: -152.238
flat angles P-C4'-P energy: -96.407
tors. eta vs tors. theta energy: -242.145
Dist. restrs. and SS energy: 10.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2493.993246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.993246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.287351 (E_RNA)
where:
Base-Base interactions energy: -1807.338
where: short stacking energy: -734.103
Base-Backbone interact. energy: -3.142
local terms energy: -696.807631
where:
bonds (distance) C4'-P energy: -117.387
bonds (distance) P-C4' energy: -127.221
flat angles C4'-P-C4' energy: -146.467
flat angles P-C4'-P energy: -87.101
tors. eta vs tors. theta energy: -218.631
Dist. restrs. and SS energy: 13.294 (S_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: 168
Temperature: 1.150000
Total energy: -2376.608394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.608394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.953154 (E_RNA)
where:
Base-Base interactions energy: -1709.873
where: short stacking energy: -709.045
Base-Backbone interact. energy: 0.661
local terms energy: -676.740614
where:
bonds (distance) C4'-P energy: -115.993
bonds (distance) P-C4' energy: -124.269
flat angles C4'-P-C4' energy: -132.527
flat angles P-C4'-P energy: -93.402
tors. eta vs tors. theta energy: -210.549
Dist. restrs. and SS energy: 9.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2332.579127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.579127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.789245 (E_RNA)
where:
Base-Base interactions energy: -1689.350
where: short stacking energy: -685.612
Base-Backbone interact. energy: -1.828
local terms energy: -651.610702
where:
bonds (distance) C4'-P energy: -107.932
bonds (distance) P-C4' energy: -113.760
flat angles C4'-P-C4' energy: -139.321
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -219.768
Dist. restrs. and SS energy: 10.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2203.245777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.245777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.403221 (E_RNA)
where:
Base-Base interactions energy: -1546.012
where: short stacking energy: -638.240
Base-Backbone interact. energy: -3.194
local terms energy: -669.197670
where:
bonds (distance) C4'-P energy: -116.872
bonds (distance) P-C4' energy: -99.087
flat angles C4'-P-C4' energy: -140.980
flat angles P-C4'-P energy: -113.419
tors. eta vs tors. theta energy: -198.840
Dist. restrs. and SS energy: 15.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -2167.705485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.705485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.628416 (E_RNA)
where:
Base-Base interactions energy: -1535.057
where: short stacking energy: -626.757
Base-Backbone interact. energy: -4.055
local terms energy: -637.516555
where:
bonds (distance) C4'-P energy: -120.668
bonds (distance) P-C4' energy: -110.796
flat angles C4'-P-C4' energy: -130.349
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -201.351
Dist. restrs. and SS energy: 8.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -1969.776955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.776955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.637847 (E_RNA)
where:
Base-Base interactions energy: -1381.952
where: short stacking energy: -565.444
Base-Backbone interact. energy: 0.671
local terms energy: -608.356899
where:
bonds (distance) C4'-P energy: -124.713
bonds (distance) P-C4' energy: -118.912
flat angles C4'-P-C4' energy: -114.204
flat angles P-C4'-P energy: -76.798
tors. eta vs tors. theta energy: -173.730
Dist. restrs. and SS energy: 19.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2733.068670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.068670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.550261 (E_RNA)
where:
Base-Base interactions energy: -1928.329
where: short stacking energy: -793.305
Base-Backbone interact. energy: -2.153
local terms energy: -815.068494
where:
bonds (distance) C4'-P energy: -136.400
bonds (distance) P-C4' energy: -138.344
flat angles C4'-P-C4' energy: -170.814
flat angles P-C4'-P energy: -121.745
tors. eta vs tors. theta energy: -247.766
Dist. restrs. and SS energy: 12.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2669.436651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.436651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.653772 (E_RNA)
where:
Base-Base interactions energy: -1892.388
where: short stacking energy: -768.723
Base-Backbone interact. energy: -2.963
local terms energy: -788.302816
where:
bonds (distance) C4'-P energy: -137.436
bonds (distance) P-C4' energy: -135.240
flat angles C4'-P-C4' energy: -162.806
flat angles P-C4'-P energy: -114.542
tors. eta vs tors. theta energy: -238.279
Dist. restrs. and SS energy: 14.217 (S_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: 169
Temperature: 1.000000
Total energy: -2628.450510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.450510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.214789 (E_RNA)
where:
Base-Base interactions energy: -1848.384
where: short stacking energy: -751.463
Base-Backbone interact. energy: -1.434
local terms energy: -789.397119
where:
bonds (distance) C4'-P energy: -131.719
bonds (distance) P-C4' energy: -135.028
flat angles C4'-P-C4' energy: -170.929
flat angles P-C4'-P energy: -108.539
tors. eta vs tors. theta energy: -243.181
Dist. restrs. and SS energy: 10.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2551.097854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.097854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.696071 (E_RNA)
where:
Base-Base interactions energy: -1808.706
where: short stacking energy: -738.831
Base-Backbone interact. energy: -3.546
local terms energy: -752.444028
where:
bonds (distance) C4'-P energy: -123.076
bonds (distance) P-C4' energy: -132.129
flat angles C4'-P-C4' energy: -159.077
flat angles P-C4'-P energy: -110.537
tors. eta vs tors. theta energy: -227.625
Dist. restrs. and SS energy: 13.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2438.998924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.998924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.722186 (E_RNA)
where:
Base-Base interactions energy: -1708.922
where: short stacking energy: -703.939
Base-Backbone interact. energy: -1.382
local terms energy: -736.418734
where:
bonds (distance) C4'-P energy: -133.586
bonds (distance) P-C4' energy: -131.542
flat angles C4'-P-C4' energy: -140.592
flat angles P-C4'-P energy: -103.942
tors. eta vs tors. theta energy: -226.756
Dist. restrs. and SS energy: 7.723 (S_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: 169
Temperature: 1.150000
Total energy: -2353.414024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.414024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.522919 (E_RNA)
where:
Base-Base interactions energy: -1689.613
where: short stacking energy: -703.975
Base-Backbone interact. energy: -2.523
local terms energy: -668.386903
where:
bonds (distance) C4'-P energy: -123.269
bonds (distance) P-C4' energy: -120.785
flat angles C4'-P-C4' energy: -139.674
flat angles P-C4'-P energy: -82.001
tors. eta vs tors. theta energy: -202.658
Dist. restrs. and SS energy: 7.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2341.486444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.486444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.311634 (E_RNA)
where:
Base-Base interactions energy: -1647.246
where: short stacking energy: -663.320
Base-Backbone interact. energy: -2.444
local terms energy: -702.621895
where:
bonds (distance) C4'-P energy: -128.109
bonds (distance) P-C4' energy: -115.959
flat angles C4'-P-C4' energy: -147.344
flat angles P-C4'-P energy: -87.056
tors. eta vs tors. theta energy: -224.154
Dist. restrs. and SS energy: 10.825 (S_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: 169
Temperature: 1.250000
Total energy: -2204.004599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.004599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.692491 (E_RNA)
where:
Base-Base interactions energy: -1578.480
where: short stacking energy: -641.568
Base-Backbone interact. energy: -0.844
local terms energy: -636.368120
where:
bonds (distance) C4'-P energy: -116.914
bonds (distance) P-C4' energy: -114.298
flat angles C4'-P-C4' energy: -133.904
flat angles P-C4'-P energy: -81.935
tors. eta vs tors. theta energy: -189.318
Dist. restrs. and SS energy: 11.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -2162.576954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.576954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.600262 (E_RNA)
where:
Base-Base interactions energy: -1517.805
where: short stacking energy: -598.498
Base-Backbone interact. energy: -1.889
local terms energy: -647.906867
where:
bonds (distance) C4'-P energy: -109.802
bonds (distance) P-C4' energy: -119.822
flat angles C4'-P-C4' energy: -144.702
flat angles P-C4'-P energy: -80.312
tors. eta vs tors. theta energy: -193.269
Dist. restrs. and SS energy: 5.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1970.730361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.730361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.192880 (E_RNA)
where:
Base-Base interactions energy: -1401.115
where: short stacking energy: -538.230
Base-Backbone interact. energy: -1.652
local terms energy: -590.425743
where:
bonds (distance) C4'-P energy: -113.104
bonds (distance) P-C4' energy: -98.404
flat angles C4'-P-C4' energy: -137.988
flat angles P-C4'-P energy: -84.029
tors. eta vs tors. theta energy: -156.900
Dist. restrs. and SS energy: 22.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2774.786742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.786742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.295893 (E_RNA)
where:
Base-Base interactions energy: -1987.006
where: short stacking energy: -849.596
Base-Backbone interact. energy: -1.158
local terms energy: -799.132331
where:
bonds (distance) C4'-P energy: -134.147
bonds (distance) P-C4' energy: -138.313
flat angles C4'-P-C4' energy: -162.752
flat angles P-C4'-P energy: -111.526
tors. eta vs tors. theta energy: -252.395
Dist. restrs. and SS energy: 12.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2707.672341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.672341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.932353 (E_RNA)
where:
Base-Base interactions energy: -1915.810
where: short stacking energy: -776.031
Base-Backbone interact. energy: -1.773
local terms energy: -801.349361
where:
bonds (distance) C4'-P energy: -136.262
bonds (distance) P-C4' energy: -148.611
flat angles C4'-P-C4' energy: -164.750
flat angles P-C4'-P energy: -113.915
tors. eta vs tors. theta energy: -237.810
Dist. restrs. and SS energy: 11.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2597.115043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.115043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.002538 (E_RNA)
where:
Base-Base interactions energy: -1845.183
where: short stacking energy: -754.424
Base-Backbone interact. energy: -3.002
local terms energy: -755.817594
where:
bonds (distance) C4'-P energy: -131.882
bonds (distance) P-C4' energy: -128.834
flat angles C4'-P-C4' energy: -151.377
flat angles P-C4'-P energy: -104.842
tors. eta vs tors. theta energy: -238.883
Dist. restrs. and SS energy: 6.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2528.784385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.784385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.838582 (E_RNA)
where:
Base-Base interactions energy: -1789.293
where: short stacking energy: -745.826
Base-Backbone interact. energy: 2.083
local terms energy: -749.628606
where:
bonds (distance) C4'-P energy: -121.870
bonds (distance) P-C4' energy: -129.704
flat angles C4'-P-C4' energy: -155.631
flat angles P-C4'-P energy: -112.997
tors. eta vs tors. theta energy: -229.426
Dist. restrs. and SS energy: 8.054 (S_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: 170
Temperature: 1.100000
Total energy: -2481.307699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.307699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.384223 (E_RNA)
where:
Base-Base interactions energy: -1742.436
where: short stacking energy: -721.925
Base-Backbone interact. energy: -0.975
local terms energy: -743.973352
where:
bonds (distance) C4'-P energy: -117.909
bonds (distance) P-C4' energy: -129.527
flat angles C4'-P-C4' energy: -156.945
flat angles P-C4'-P energy: -109.050
tors. eta vs tors. theta energy: -230.542
Dist. restrs. and SS energy: 6.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2416.892647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.892647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.156538 (E_RNA)
where:
Base-Base interactions energy: -1701.241
where: short stacking energy: -683.158
Base-Backbone interact. energy: -4.139
local terms energy: -722.776059
where:
bonds (distance) C4'-P energy: -128.919
bonds (distance) P-C4' energy: -136.407
flat angles C4'-P-C4' energy: -137.395
flat angles P-C4'-P energy: -95.582
tors. eta vs tors. theta energy: -224.473
Dist. restrs. and SS energy: 11.264 (S_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: 170
Temperature: 1.200000
Total energy: -2318.618442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.618442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.544890 (E_RNA)
where:
Base-Base interactions energy: -1656.278
where: short stacking energy: -679.172
Base-Backbone interact. energy: -0.771
local terms energy: -676.495638
where:
bonds (distance) C4'-P energy: -104.518
bonds (distance) P-C4' energy: -113.734
flat angles C4'-P-C4' energy: -146.972
flat angles P-C4'-P energy: -89.952
tors. eta vs tors. theta energy: -221.319
Dist. restrs. and SS energy: 14.926 (S_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: 170
Temperature: 1.250000
Total energy: -2232.593122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.593122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.487050 (E_RNA)
where:
Base-Base interactions energy: -1601.096
where: short stacking energy: -657.068
Base-Backbone interact. energy: -1.721
local terms energy: -644.670584
where:
bonds (distance) C4'-P energy: -110.337
bonds (distance) P-C4' energy: -118.449
flat angles C4'-P-C4' energy: -142.018
flat angles P-C4'-P energy: -76.079
tors. eta vs tors. theta energy: -197.787
Dist. restrs. and SS energy: 14.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -2188.575297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.575297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.227108 (E_RNA)
where:
Base-Base interactions energy: -1570.043
where: short stacking energy: -629.354
Base-Backbone interact. energy: 0.938
local terms energy: -628.121878
where:
bonds (distance) C4'-P energy: -104.578
bonds (distance) P-C4' energy: -106.730
flat angles C4'-P-C4' energy: -123.608
flat angles P-C4'-P energy: -97.350
tors. eta vs tors. theta energy: -195.856
Dist. restrs. and SS energy: 8.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1953.945225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.945225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.671735 (E_RNA)
where:
Base-Base interactions energy: -1402.212
where: short stacking energy: -538.518
Base-Backbone interact. energy: -2.465
local terms energy: -567.995583
where:
bonds (distance) C4'-P energy: -111.039
bonds (distance) P-C4' energy: -122.542
flat angles C4'-P-C4' energy: -103.739
flat angles P-C4'-P energy: -62.927
tors. eta vs tors. theta energy: -167.747
Dist. restrs. and SS energy: 18.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2734.597796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.597796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.107688 (E_RNA)
where:
Base-Base interactions energy: -1918.189
where: short stacking energy: -787.922
Base-Backbone interact. energy: -4.669
local terms energy: -823.249819
where:
bonds (distance) C4'-P energy: -154.765
bonds (distance) P-C4' energy: -135.581
flat angles C4'-P-C4' energy: -167.124
flat angles P-C4'-P energy: -116.147
tors. eta vs tors. theta energy: -249.633
Dist. restrs. and SS energy: 11.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2720.436713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.436713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.206609 (E_RNA)
where:
Base-Base interactions energy: -1941.941
where: short stacking energy: -793.317
Base-Backbone interact. energy: -2.641
local terms energy: -788.624486
where:
bonds (distance) C4'-P energy: -127.912
bonds (distance) P-C4' energy: -137.869
flat angles C4'-P-C4' energy: -169.600
flat angles P-C4'-P energy: -121.630
tors. eta vs tors. theta energy: -231.614
Dist. restrs. and SS energy: 12.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2620.764671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.764671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.968716 (E_RNA)
where:
Base-Base interactions energy: -1855.572
where: short stacking energy: -774.137
Base-Backbone interact. energy: -1.395
local terms energy: -773.002072
where:
bonds (distance) C4'-P energy: -131.914
bonds (distance) P-C4' energy: -128.530
flat angles C4'-P-C4' energy: -159.816
flat angles P-C4'-P energy: -107.754
tors. eta vs tors. theta energy: -244.988
Dist. restrs. and SS energy: 9.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2550.024727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.024727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.091487 (E_RNA)
where:
Base-Base interactions energy: -1799.102
where: short stacking energy: -744.621
Base-Backbone interact. energy: -0.741
local terms energy: -759.248336
where:
bonds (distance) C4'-P energy: -132.219
bonds (distance) P-C4' energy: -129.074
flat angles C4'-P-C4' energy: -155.437
flat angles P-C4'-P energy: -109.777
tors. eta vs tors. theta energy: -232.742
Dist. restrs. and SS energy: 9.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2510.582554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.582554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.621577 (E_RNA)
where:
Base-Base interactions energy: -1773.255
where: short stacking energy: -713.688
Base-Backbone interact. energy: -2.937
local terms energy: -743.428859
where:
bonds (distance) C4'-P energy: -147.025
bonds (distance) P-C4' energy: -119.903
flat angles C4'-P-C4' energy: -151.538
flat angles P-C4'-P energy: -95.055
tors. eta vs tors. theta energy: -229.908
Dist. restrs. and SS energy: 9.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2430.082853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.082853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.238629 (E_RNA)
where:
Base-Base interactions energy: -1728.899
where: short stacking energy: -703.942
Base-Backbone interact. energy: -2.879
local terms energy: -715.460741
where:
bonds (distance) C4'-P energy: -109.320
bonds (distance) P-C4' energy: -132.786
flat angles C4'-P-C4' energy: -155.800
flat angles P-C4'-P energy: -87.572
tors. eta vs tors. theta energy: -229.984
Dist. restrs. and SS energy: 17.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2355.739412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.739412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.406089 (E_RNA)
where:
Base-Base interactions energy: -1702.922
where: short stacking energy: -703.291
Base-Backbone interact. energy: 1.040
local terms energy: -666.523893
where:
bonds (distance) C4'-P energy: -89.080
bonds (distance) P-C4' energy: -123.019
flat angles C4'-P-C4' energy: -146.964
flat angles P-C4'-P energy: -86.145
tors. eta vs tors. theta energy: -221.316
Dist. restrs. and SS energy: 12.667 (S_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: 171
Temperature: 1.250000
Total energy: -2158.184116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.184116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.095984 (E_RNA)
where:
Base-Base interactions energy: -1532.180
where: short stacking energy: -597.280
Base-Backbone interact. energy: -5.809
local terms energy: -630.107326
where:
bonds (distance) C4'-P energy: -107.536
bonds (distance) P-C4' energy: -111.914
flat angles C4'-P-C4' energy: -138.946
flat angles P-C4'-P energy: -94.884
tors. eta vs tors. theta energy: -176.827
Dist. restrs. and SS energy: 9.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -2149.132956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.132956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.395787 (E_RNA)
where:
Base-Base interactions energy: -1541.246
where: short stacking energy: -608.989
Base-Backbone interact. energy: 5.858
local terms energy: -620.008370
where:
bonds (distance) C4'-P energy: -102.361
bonds (distance) P-C4' energy: -116.960
flat angles C4'-P-C4' energy: -129.837
flat angles P-C4'-P energy: -77.650
tors. eta vs tors. theta energy: -193.201
Dist. restrs. and SS energy: 6.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1924.148717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.148717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.442156 (E_RNA)
where:
Base-Base interactions energy: -1390.726
where: short stacking energy: -554.527
Base-Backbone interact. energy: 0.176
local terms energy: -561.892164
where:
bonds (distance) C4'-P energy: -112.471
bonds (distance) P-C4' energy: -88.769
flat angles C4'-P-C4' energy: -123.695
flat angles P-C4'-P energy: -78.199
tors. eta vs tors. theta energy: -158.758
Dist. restrs. and SS energy: 28.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2717.004989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.004989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.292025 (E_RNA)
where:
Base-Base interactions energy: -1928.417
where: short stacking energy: -799.636
Base-Backbone interact. energy: -2.443
local terms energy: -797.432488
where:
bonds (distance) C4'-P energy: -145.430
bonds (distance) P-C4' energy: -136.354
flat angles C4'-P-C4' energy: -156.677
flat angles P-C4'-P energy: -108.229
tors. eta vs tors. theta energy: -250.742
Dist. restrs. and SS energy: 11.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2687.116269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.116269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.889280 (E_RNA)
where:
Base-Base interactions energy: -1926.362
where: short stacking energy: -775.380
Base-Backbone interact. energy: -2.372
local terms energy: -767.155458
where:
bonds (distance) C4'-P energy: -136.793
bonds (distance) P-C4' energy: -127.424
flat angles C4'-P-C4' energy: -154.102
flat angles P-C4'-P energy: -114.248
tors. eta vs tors. theta energy: -234.590
Dist. restrs. and SS energy: 8.773 (S_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: 172
Temperature: 1.000000
Total energy: -2602.562451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.562451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.337034 (E_RNA)
where:
Base-Base interactions energy: -1848.163
where: short stacking energy: -772.210
Base-Backbone interact. energy: -1.289
local terms energy: -760.884639
where:
bonds (distance) C4'-P energy: -130.773
bonds (distance) P-C4' energy: -131.439
flat angles C4'-P-C4' energy: -159.453
flat angles P-C4'-P energy: -115.776
tors. eta vs tors. theta energy: -223.444
Dist. restrs. and SS energy: 7.775 (S_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: 172
Temperature: 1.050000
Total energy: -2574.649779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.649779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.868794 (E_RNA)
where:
Base-Base interactions energy: -1831.076
where: short stacking energy: -721.261
Base-Backbone interact. energy: -3.221
local terms energy: -747.572525
where:
bonds (distance) C4'-P energy: -119.281
bonds (distance) P-C4' energy: -141.216
flat angles C4'-P-C4' energy: -162.908
flat angles P-C4'-P energy: -95.985
tors. eta vs tors. theta energy: -228.182
Dist. restrs. and SS energy: 7.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2475.389992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.389992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.307520 (E_RNA)
where:
Base-Base interactions energy: -1748.825
where: short stacking energy: -697.627
Base-Backbone interact. energy: -0.039
local terms energy: -735.443785
where:
bonds (distance) C4'-P energy: -138.914
bonds (distance) P-C4' energy: -114.464
flat angles C4'-P-C4' energy: -150.738
flat angles P-C4'-P energy: -112.284
tors. eta vs tors. theta energy: -219.044
Dist. restrs. and SS energy: 8.918 (S_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: 172
Temperature: 1.150000
Total energy: -2438.193973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.193973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.076384 (E_RNA)
where:
Base-Base interactions energy: -1736.279
where: short stacking energy: -703.482
Base-Backbone interact. energy: 0.030
local terms energy: -712.827213
where:
bonds (distance) C4'-P energy: -138.800
bonds (distance) P-C4' energy: -103.128
flat angles C4'-P-C4' energy: -151.580
flat angles P-C4'-P energy: -93.665
tors. eta vs tors. theta energy: -225.654
Dist. restrs. and SS energy: 10.882 (S_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: 172
Temperature: 1.200000
Total energy: -2298.343289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.343289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.707031 (E_RNA)
where:
Base-Base interactions energy: -1638.943
where: short stacking energy: -660.578
Base-Backbone interact. energy: 1.037
local terms energy: -672.801137
where:
bonds (distance) C4'-P energy: -122.339
bonds (distance) P-C4' energy: -131.010
flat angles C4'-P-C4' energy: -130.798
flat angles P-C4'-P energy: -85.952
tors. eta vs tors. theta energy: -202.702
Dist. restrs. and SS energy: 12.364 (S_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: 172
Temperature: 1.250000
Total energy: -2262.299754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.299754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.234799 (E_RNA)
where:
Base-Base interactions energy: -1653.533
where: short stacking energy: -668.943
Base-Backbone interact. energy: 3.260
local terms energy: -617.961778
where:
bonds (distance) C4'-P energy: -85.759
bonds (distance) P-C4' energy: -107.731
flat angles C4'-P-C4' energy: -131.937
flat angles P-C4'-P energy: -89.010
tors. eta vs tors. theta energy: -203.525
Dist. restrs. and SS energy: 5.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -2157.235036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.235036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.351566 (E_RNA)
where:
Base-Base interactions energy: -1550.861
where: short stacking energy: -605.959
Base-Backbone interact. energy: 0.336
local terms energy: -612.826048
where:
bonds (distance) C4'-P energy: -98.543
bonds (distance) P-C4' energy: -112.728
flat angles C4'-P-C4' energy: -141.505
flat angles P-C4'-P energy: -78.156
tors. eta vs tors. theta energy: -181.894
Dist. restrs. and SS energy: 6.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1906.709150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.709150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.525765 (E_RNA)
where:
Base-Base interactions energy: -1361.648
where: short stacking energy: -553.517
Base-Backbone interact. energy: -1.496
local terms energy: -567.381821
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -98.166
flat angles C4'-P-C4' energy: -119.160
flat angles P-C4'-P energy: -80.557
tors. eta vs tors. theta energy: -169.149
Dist. restrs. and SS energy: 23.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2735.736498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.736498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.261325 (E_RNA)
where:
Base-Base interactions energy: -1946.164
where: short stacking energy: -799.043
Base-Backbone interact. energy: -4.086
local terms energy: -796.011195
where:
bonds (distance) C4'-P energy: -132.497
bonds (distance) P-C4' energy: -139.160
flat angles C4'-P-C4' energy: -169.139
flat angles P-C4'-P energy: -108.358
tors. eta vs tors. theta energy: -246.858
Dist. restrs. and SS energy: 10.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2705.840101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.840101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.179270 (E_RNA)
where:
Base-Base interactions energy: -1923.301
where: short stacking energy: -795.763
Base-Backbone interact. energy: -3.758
local terms energy: -787.119786
where:
bonds (distance) C4'-P energy: -134.690
bonds (distance) P-C4' energy: -148.120
flat angles C4'-P-C4' energy: -157.980
flat angles P-C4'-P energy: -107.718
tors. eta vs tors. theta energy: -238.612
Dist. restrs. and SS energy: 8.339 (S_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: 173
Temperature: 1.000000
Total energy: -2564.862992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.862992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.392806 (E_RNA)
where:
Base-Base interactions energy: -1833.564
where: short stacking energy: -752.915
Base-Backbone interact. energy: -0.563
local terms energy: -736.266218
where:
bonds (distance) C4'-P energy: -124.345
bonds (distance) P-C4' energy: -126.153
flat angles C4'-P-C4' energy: -151.680
flat angles P-C4'-P energy: -102.913
tors. eta vs tors. theta energy: -231.175
Dist. restrs. and SS energy: 5.530 (S_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: 173
Temperature: 1.050000
Total energy: -2549.622382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.622382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.473265 (E_RNA)
where:
Base-Base interactions energy: -1794.745
where: short stacking energy: -726.823
Base-Backbone interact. energy: -0.926
local terms energy: -761.802023
where:
bonds (distance) C4'-P energy: -143.676
bonds (distance) P-C4' energy: -135.732
flat angles C4'-P-C4' energy: -156.327
flat angles P-C4'-P energy: -101.902
tors. eta vs tors. theta energy: -224.165
Dist. restrs. and SS energy: 7.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2453.232183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.232183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.758373 (E_RNA)
where:
Base-Base interactions energy: -1719.703
where: short stacking energy: -695.835
Base-Backbone interact. energy: 1.344
local terms energy: -744.399531
where:
bonds (distance) C4'-P energy: -124.603
bonds (distance) P-C4' energy: -138.681
flat angles C4'-P-C4' energy: -155.752
flat angles P-C4'-P energy: -106.048
tors. eta vs tors. theta energy: -219.315
Dist. restrs. and SS energy: 9.526 (S_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: 173
Temperature: 1.150000
Total energy: -2374.032337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.032337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.075199 (E_RNA)
where:
Base-Base interactions energy: -1699.375
where: short stacking energy: -678.373
Base-Backbone interact. energy: -1.419
local terms energy: -685.281134
where:
bonds (distance) C4'-P energy: -117.934
bonds (distance) P-C4' energy: -128.817
flat angles C4'-P-C4' energy: -134.058
flat angles P-C4'-P energy: -99.201
tors. eta vs tors. theta energy: -205.270
Dist. restrs. and SS energy: 12.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2323.583968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.583968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.113207 (E_RNA)
where:
Base-Base interactions energy: -1689.339
where: short stacking energy: -705.217
Base-Backbone interact. energy: -3.625
local terms energy: -649.149442
where:
bonds (distance) C4'-P energy: -97.526
bonds (distance) P-C4' energy: -93.203
flat angles C4'-P-C4' energy: -143.474
flat angles P-C4'-P energy: -96.804
tors. eta vs tors. theta energy: -218.142
Dist. restrs. and SS energy: 18.529 (S_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: 173
Temperature: 1.250000
Total energy: -2229.205849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.205849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.938429 (E_RNA)
where:
Base-Base interactions energy: -1611.035
where: short stacking energy: -641.287
Base-Backbone interact. energy: -3.544
local terms energy: -622.358544
where:
bonds (distance) C4'-P energy: -108.146
bonds (distance) P-C4' energy: -99.659
flat angles C4'-P-C4' energy: -130.117
flat angles P-C4'-P energy: -88.902
tors. eta vs tors. theta energy: -195.536
Dist. restrs. and SS energy: 7.733 (S_DIST_RNA)
chem. 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: -2181.388800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.388800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.396296 (E_RNA)
where:
Base-Base interactions energy: -1584.052
where: short stacking energy: -629.090
Base-Backbone interact. energy: -1.439
local terms energy: -602.905620
where:
bonds (distance) C4'-P energy: -90.691
bonds (distance) P-C4' energy: -109.206
flat angles C4'-P-C4' energy: -135.800
flat angles P-C4'-P energy: -84.002
tors. eta vs tors. theta energy: -183.206
Dist. restrs. and SS energy: 7.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1906.450301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.450301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.429565 (E_RNA)
where:
Base-Base interactions energy: -1334.788
where: short stacking energy: -554.410
Base-Backbone interact. energy: 2.449
local terms energy: -611.090393
where:
bonds (distance) C4'-P energy: -105.951
bonds (distance) P-C4' energy: -124.284
flat angles C4'-P-C4' energy: -130.037
flat angles P-C4'-P energy: -90.652
tors. eta vs tors. theta energy: -160.167
Dist. restrs. and SS energy: 36.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2756.133638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.133638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.664246 (E_RNA)
where:
Base-Base interactions energy: -1959.058
where: short stacking energy: -813.480
Base-Backbone interact. energy: -2.935
local terms energy: -805.671079
where:
bonds (distance) C4'-P energy: -139.398
bonds (distance) P-C4' energy: -126.750
flat angles C4'-P-C4' energy: -157.443
flat angles P-C4'-P energy: -125.705
tors. eta vs tors. theta energy: -256.375
Dist. restrs. and SS energy: 11.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2712.344717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.344717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.754962 (E_RNA)
where:
Base-Base interactions energy: -1920.572
where: short stacking energy: -798.621
Base-Backbone interact. energy: -1.482
local terms energy: -800.700621
where:
bonds (distance) C4'-P energy: -140.113
bonds (distance) P-C4' energy: -132.884
flat angles C4'-P-C4' energy: -168.210
flat angles P-C4'-P energy: -119.789
tors. eta vs tors. theta energy: -239.705
Dist. restrs. and SS energy: 10.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2606.574698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.574698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.515258 (E_RNA)
where:
Base-Base interactions energy: -1840.015
where: short stacking energy: -728.155
Base-Backbone interact. energy: -0.481
local terms energy: -776.019833
where:
bonds (distance) C4'-P energy: -141.059
bonds (distance) P-C4' energy: -140.271
flat angles C4'-P-C4' energy: -162.244
flat angles P-C4'-P energy: -110.305
tors. eta vs tors. theta energy: -222.142
Dist. restrs. and SS energy: 9.941 (S_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: 174
Temperature: 1.050000
Total energy: -2536.029558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.029558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.440607 (E_RNA)
where:
Base-Base interactions energy: -1805.417
where: short stacking energy: -751.454
Base-Backbone interact. energy: -3.796
local terms energy: -737.228079
where:
bonds (distance) C4'-P energy: -122.714
bonds (distance) P-C4' energy: -122.303
flat angles C4'-P-C4' energy: -147.982
flat angles P-C4'-P energy: -100.957
tors. eta vs tors. theta energy: -243.272
Dist. restrs. and SS energy: 10.411 (S_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: 174
Temperature: 1.100000
Total energy: -2415.429425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.429425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.510632 (E_RNA)
where:
Base-Base interactions energy: -1705.943
where: short stacking energy: -717.983
Base-Backbone interact. energy: -1.780
local terms energy: -716.787230
where:
bonds (distance) C4'-P energy: -130.550
bonds (distance) P-C4' energy: -119.482
flat angles C4'-P-C4' energy: -139.576
flat angles P-C4'-P energy: -103.791
tors. eta vs tors. theta energy: -223.389
Dist. restrs. and SS energy: 9.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2386.871316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.871316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.876974 (E_RNA)
where:
Base-Base interactions energy: -1673.935
where: short stacking energy: -691.404
Base-Backbone interact. energy: -1.531
local terms energy: -721.411230
where:
bonds (distance) C4'-P energy: -126.915
bonds (distance) P-C4' energy: -128.358
flat angles C4'-P-C4' energy: -146.395
flat angles P-C4'-P energy: -101.222
tors. eta vs tors. theta energy: -218.521
Dist. restrs. and SS energy: 10.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2303.364852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.364852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.388425 (E_RNA)
where:
Base-Base interactions energy: -1649.117
where: short stacking energy: -665.601
Base-Backbone interact. energy: -2.288
local terms energy: -666.983433
where:
bonds (distance) C4'-P energy: -115.560
bonds (distance) P-C4' energy: -95.811
flat angles C4'-P-C4' energy: -147.852
flat angles P-C4'-P energy: -86.258
tors. eta vs tors. theta energy: -221.503
Dist. restrs. and SS energy: 15.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2223.416217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.416217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.240814 (E_RNA)
where:
Base-Base interactions energy: -1600.532
where: short stacking energy: -647.249
Base-Backbone interact. energy: 4.133
local terms energy: -639.842554
where:
bonds (distance) C4'-P energy: -115.342
bonds (distance) P-C4' energy: -110.766
flat angles C4'-P-C4' energy: -131.438
flat angles P-C4'-P energy: -84.605
tors. eta vs tors. theta energy: -197.693
Dist. restrs. and SS energy: 12.825 (S_DIST_RNA)
chem. 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: -2160.204754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.204754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.136661 (E_RNA)
where:
Base-Base interactions energy: -1532.038
where: short stacking energy: -599.744
Base-Backbone interact. energy: 1.697
local terms energy: -638.795305
where:
bonds (distance) C4'-P energy: -118.246
bonds (distance) P-C4' energy: -104.432
flat angles C4'-P-C4' energy: -141.506
flat angles P-C4'-P energy: -85.540
tors. eta vs tors. theta energy: -189.071
Dist. restrs. and SS energy: 8.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1929.460464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.460464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.637501 (E_RNA)
where:
Base-Base interactions energy: -1379.971
where: short stacking energy: -564.746
Base-Backbone interact. energy: 6.543
local terms energy: -572.209686
where:
bonds (distance) C4'-P energy: -88.353
bonds (distance) P-C4' energy: -120.603
flat angles C4'-P-C4' energy: -105.649
flat angles P-C4'-P energy: -85.655
tors. eta vs tors. theta energy: -171.951
Dist. restrs. and SS energy: 16.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2750.016445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.016445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.961357 (E_RNA)
where:
Base-Base interactions energy: -1954.835
where: short stacking energy: -801.840
Base-Backbone interact. energy: -2.404
local terms energy: -804.722626
where:
bonds (distance) C4'-P energy: -139.469
bonds (distance) P-C4' energy: -139.888
flat angles C4'-P-C4' energy: -157.510
flat angles P-C4'-P energy: -111.330
tors. eta vs tors. theta energy: -256.525
Dist. restrs. and SS energy: 11.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2698.210622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.210622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.883277 (E_RNA)
where:
Base-Base interactions energy: -1928.552
where: short stacking energy: -771.089
Base-Backbone interact. energy: -2.056
local terms energy: -775.275536
where:
bonds (distance) C4'-P energy: -127.803
bonds (distance) P-C4' energy: -133.326
flat angles C4'-P-C4' energy: -162.069
flat angles P-C4'-P energy: -111.511
tors. eta vs tors. theta energy: -240.566
Dist. restrs. and SS energy: 7.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2641.939656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.939656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.038057 (E_RNA)
where:
Base-Base interactions energy: -1900.469
where: short stacking energy: -751.401
Base-Backbone interact. energy: 0.335
local terms energy: -753.903557
where:
bonds (distance) C4'-P energy: -124.469
bonds (distance) P-C4' energy: -131.593
flat angles C4'-P-C4' energy: -160.200
flat angles P-C4'-P energy: -109.679
tors. eta vs tors. theta energy: -227.961
Dist. restrs. and SS energy: 12.098 (S_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: 175
Temperature: 1.050000
Total energy: -2505.067080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.067080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.069310 (E_RNA)
where:
Base-Base interactions energy: -1770.214
where: short stacking energy: -745.320
Base-Backbone interact. energy: -1.833
local terms energy: -741.021810
where:
bonds (distance) C4'-P energy: -126.689
bonds (distance) P-C4' energy: -132.036
flat angles C4'-P-C4' energy: -144.759
flat angles P-C4'-P energy: -111.168
tors. eta vs tors. theta energy: -226.370
Dist. restrs. and SS energy: 8.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2445.719437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.719437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.132146 (E_RNA)
where:
Base-Base interactions energy: -1744.275
where: short stacking energy: -691.441
Base-Backbone interact. energy: -2.113
local terms energy: -704.743927
where:
bonds (distance) C4'-P energy: -119.454
bonds (distance) P-C4' energy: -126.548
flat angles C4'-P-C4' energy: -154.505
flat angles P-C4'-P energy: -93.192
tors. eta vs tors. theta energy: -211.045
Dist. restrs. and SS energy: 5.413 (S_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: -2349.894052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.894052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.478339 (E_RNA)
where:
Base-Base interactions energy: -1683.936
where: short stacking energy: -704.953
Base-Backbone interact. energy: -2.322
local terms energy: -674.220877
where:
bonds (distance) C4'-P energy: -110.225
bonds (distance) P-C4' energy: -103.685
flat angles C4'-P-C4' energy: -143.662
flat angles P-C4'-P energy: -96.216
tors. eta vs tors. theta energy: -220.433
Dist. restrs. and SS energy: 10.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2289.317031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.317031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.627234 (E_RNA)
where:
Base-Base interactions energy: -1628.140
where: short stacking energy: -669.880
Base-Backbone interact. energy: -5.316
local terms energy: -667.171751
where:
bonds (distance) C4'-P energy: -105.846
bonds (distance) P-C4' energy: -125.294
flat angles C4'-P-C4' energy: -141.914
flat angles P-C4'-P energy: -86.961
tors. eta vs tors. theta energy: -207.155
Dist. restrs. and SS energy: 11.310 (S_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: 175
Temperature: 1.250000
Total energy: -2223.189122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.189122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.883285 (E_RNA)
where:
Base-Base interactions energy: -1619.784
where: short stacking energy: -651.307
Base-Backbone interact. energy: -1.947
local terms energy: -618.151521
where:
bonds (distance) C4'-P energy: -100.028
bonds (distance) P-C4' energy: -86.588
flat angles C4'-P-C4' energy: -132.122
flat angles P-C4'-P energy: -101.131
tors. eta vs tors. theta energy: -198.282
Dist. restrs. and SS energy: 16.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -2203.442731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.442731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.061097 (E_RNA)
where:
Base-Base interactions energy: -1574.363
where: short stacking energy: -618.727
Base-Backbone interact. energy: -1.848
local terms energy: -634.850143
where:
bonds (distance) C4'-P energy: -104.711
bonds (distance) P-C4' energy: -116.500
flat angles C4'-P-C4' energy: -127.230
flat angles P-C4'-P energy: -85.747
tors. eta vs tors. theta energy: -200.662
Dist. restrs. and SS energy: 7.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1932.903571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.903571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.364043 (E_RNA)
where:
Base-Base interactions energy: -1361.255
where: short stacking energy: -543.035
Base-Backbone interact. energy: -1.069
local terms energy: -601.040223
where:
bonds (distance) C4'-P energy: -111.455
bonds (distance) P-C4' energy: -110.292
flat angles C4'-P-C4' energy: -143.221
flat angles P-C4'-P energy: -74.365
tors. eta vs tors. theta energy: -161.708
Dist. restrs. and SS energy: 30.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2755.013271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.013271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.743722 (E_RNA)
where:
Base-Base interactions energy: -1943.270
where: short stacking energy: -791.670
Base-Backbone interact. energy: -0.805
local terms energy: -819.668879
where:
bonds (distance) C4'-P energy: -140.412
bonds (distance) P-C4' energy: -149.307
flat angles C4'-P-C4' energy: -157.374
flat angles P-C4'-P energy: -122.466
tors. eta vs tors. theta energy: -250.109
Dist. restrs. and SS energy: 8.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2687.225184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.225184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.632151 (E_RNA)
where:
Base-Base interactions energy: -1884.751
where: short stacking energy: -767.585
Base-Backbone interact. energy: -3.102
local terms energy: -809.779425
where:
bonds (distance) C4'-P energy: -134.891
bonds (distance) P-C4' energy: -144.342
flat angles C4'-P-C4' energy: -174.518
flat angles P-C4'-P energy: -113.932
tors. eta vs tors. theta energy: -242.096
Dist. restrs. and SS energy: 10.407 (S_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: 176
Temperature: 1.000000
Total energy: -2605.109688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.109688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.792770 (E_RNA)
where:
Base-Base interactions energy: -1859.669
where: short stacking energy: -781.396
Base-Backbone interact. energy: -2.333
local terms energy: -754.790755
where:
bonds (distance) C4'-P energy: -127.565
bonds (distance) P-C4' energy: -129.013
flat angles C4'-P-C4' energy: -155.596
flat angles P-C4'-P energy: -109.451
tors. eta vs tors. theta energy: -233.166
Dist. restrs. and SS energy: 11.683 (S_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: 176
Temperature: 1.050000
Total energy: -2539.970627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.970627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.810255 (E_RNA)
where:
Base-Base interactions energy: -1760.158
where: short stacking energy: -725.615
Base-Backbone interact. energy: -3.354
local terms energy: -783.298659
where:
bonds (distance) C4'-P energy: -140.034
bonds (distance) P-C4' energy: -127.908
flat angles C4'-P-C4' energy: -166.302
flat angles P-C4'-P energy: -108.700
tors. eta vs tors. theta energy: -240.354
Dist. restrs. and SS energy: 6.840 (S_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: 176
Temperature: 1.100000
Total energy: -2471.604755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.604755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.624626 (E_RNA)
where:
Base-Base interactions energy: -1757.420
where: short stacking energy: -732.510
Base-Backbone interact. energy: -3.548
local terms energy: -719.656423
where:
bonds (distance) C4'-P energy: -131.821
bonds (distance) P-C4' energy: -129.601
flat angles C4'-P-C4' energy: -145.650
flat angles P-C4'-P energy: -98.992
tors. eta vs tors. theta energy: -213.593
Dist. restrs. and SS energy: 9.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2417.672266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.672266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.796916 (E_RNA)
where:
Base-Base interactions energy: -1705.837
where: short stacking energy: -707.786
Base-Backbone interact. energy: -2.959
local terms energy: -721.000951
where:
bonds (distance) C4'-P energy: -124.244
bonds (distance) P-C4' energy: -108.267
flat angles C4'-P-C4' energy: -156.133
flat angles P-C4'-P energy: -101.751
tors. eta vs tors. theta energy: -230.607
Dist. restrs. and SS energy: 12.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2313.241789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.241789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.231028 (E_RNA)
where:
Base-Base interactions energy: -1654.357
where: short stacking energy: -665.517
Base-Backbone interact. energy: -1.908
local terms energy: -668.965614
where:
bonds (distance) C4'-P energy: -109.391
bonds (distance) P-C4' energy: -101.090
flat angles C4'-P-C4' energy: -144.042
flat angles P-C4'-P energy: -101.884
tors. eta vs tors. theta energy: -212.560
Dist. restrs. and SS energy: 11.989 (S_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: 176
Temperature: 1.250000
Total energy: -2283.255252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.255252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.880719 (E_RNA)
where:
Base-Base interactions energy: -1643.734
where: short stacking energy: -677.993
Base-Backbone interact. energy: 0.011
local terms energy: -649.157697
where:
bonds (distance) C4'-P energy: -108.166
bonds (distance) P-C4' energy: -102.764
flat angles C4'-P-C4' energy: -140.598
flat angles P-C4'-P energy: -91.252
tors. eta vs tors. theta energy: -206.378
Dist. restrs. and SS energy: 9.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -2223.460529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.684327 (E_RNA)
where:
Base-Base interactions energy: -1577.179
where: short stacking energy: -621.101
Base-Backbone interact. energy: -0.713
local terms energy: -654.792660
where:
bonds (distance) C4'-P energy: -115.640
bonds (distance) P-C4' energy: -109.647
flat angles C4'-P-C4' energy: -141.708
flat angles P-C4'-P energy: -88.767
tors. eta vs tors. theta energy: -199.031
Dist. restrs. and SS energy: 9.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1905.957128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.957128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.630499 (E_RNA)
where:
Base-Base interactions energy: -1339.146
where: short stacking energy: -549.033
Base-Backbone interact. energy: -0.842
local terms energy: -593.642511
where:
bonds (distance) C4'-P energy: -116.320
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -117.861
flat angles P-C4'-P energy: -86.225
tors. eta vs tors. theta energy: -167.906
Dist. restrs. and SS energy: 27.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2753.342017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.342017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.325704 (E_RNA)
where:
Base-Base interactions energy: -1940.813
where: short stacking energy: -781.821
Base-Backbone interact. energy: -2.392
local terms energy: -820.121235
where:
bonds (distance) C4'-P energy: -145.703
bonds (distance) P-C4' energy: -143.145
flat angles C4'-P-C4' energy: -168.508
flat angles P-C4'-P energy: -118.797
tors. eta vs tors. theta energy: -243.968
Dist. restrs. and SS energy: 9.984 (S_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: 177
Temperature: 0.950000
Total energy: -2693.474129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.474129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.202665 (E_RNA)
where:
Base-Base interactions energy: -1901.372
where: short stacking energy: -768.340
Base-Backbone interact. energy: -4.601
local terms energy: -798.228988
where:
bonds (distance) C4'-P energy: -151.365
bonds (distance) P-C4' energy: -129.643
flat angles C4'-P-C4' energy: -157.689
flat angles P-C4'-P energy: -127.766
tors. eta vs tors. theta energy: -231.766
Dist. restrs. and SS energy: 10.729 (S_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: 177
Temperature: 1.000000
Total energy: -2614.971869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.971869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.309295 (E_RNA)
where:
Base-Base interactions energy: -1847.411
where: short stacking energy: -753.503
Base-Backbone interact. energy: -0.974
local terms energy: -778.924339
where:
bonds (distance) C4'-P energy: -117.403
bonds (distance) P-C4' energy: -144.152
flat angles C4'-P-C4' energy: -161.380
flat angles P-C4'-P energy: -122.161
tors. eta vs tors. theta energy: -233.828
Dist. restrs. and SS energy: 12.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2532.360568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.360568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.261874 (E_RNA)
where:
Base-Base interactions energy: -1770.666
where: short stacking energy: -750.958
Base-Backbone interact. energy: -2.555
local terms energy: -765.040559
where:
bonds (distance) C4'-P energy: -138.511
bonds (distance) P-C4' energy: -127.996
flat angles C4'-P-C4' energy: -153.719
flat angles P-C4'-P energy: -118.206
tors. eta vs tors. theta energy: -226.608
Dist. restrs. and SS energy: 5.901 (S_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: 177
Temperature: 1.100000
Total energy: -2460.361188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.361188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.412101 (E_RNA)
where:
Base-Base interactions energy: -1765.242
where: short stacking energy: -698.656
Base-Backbone interact. energy: -3.387
local terms energy: -697.783494
where:
bonds (distance) C4'-P energy: -120.296
bonds (distance) P-C4' energy: -128.471
flat angles C4'-P-C4' energy: -143.842
flat angles P-C4'-P energy: -97.502
tors. eta vs tors. theta energy: -207.673
Dist. restrs. and SS energy: 6.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2428.435336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.435336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.775343 (E_RNA)
where:
Base-Base interactions energy: -1716.531
where: short stacking energy: -720.975
Base-Backbone interact. energy: -2.002
local terms energy: -722.242447
where:
bonds (distance) C4'-P energy: -114.240
bonds (distance) P-C4' energy: -135.066
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -94.714
tors. eta vs tors. theta energy: -226.746
Dist. restrs. and SS energy: 12.340 (S_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: 177
Temperature: 1.200000
Total energy: -2313.585719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.585719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.987341 (E_RNA)
where:
Base-Base interactions energy: -1665.265
where: short stacking energy: -656.543
Base-Backbone interact. energy: -3.922
local terms energy: -652.800586
where:
bonds (distance) C4'-P energy: -115.162
bonds (distance) P-C4' energy: -109.242
flat angles C4'-P-C4' energy: -129.918
flat angles P-C4'-P energy: -86.983
tors. eta vs tors. theta energy: -211.495
Dist. restrs. and SS energy: 8.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2265.044639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.044639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.714692 (E_RNA)
where:
Base-Base interactions energy: -1610.057
where: short stacking energy: -636.988
Base-Backbone interact. energy: -1.503
local terms energy: -658.155395
where:
bonds (distance) C4'-P energy: -130.141
bonds (distance) P-C4' energy: -126.487
flat angles C4'-P-C4' energy: -134.630
flat angles P-C4'-P energy: -72.693
tors. eta vs tors. theta energy: -194.205
Dist. restrs. and SS energy: 4.670 (S_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: 177
Temperature: 1.300000
Total energy: -2180.136303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.136303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.905134 (E_RNA)
where:
Base-Base interactions energy: -1559.247
where: short stacking energy: -628.996
Base-Backbone interact. energy: 0.438
local terms energy: -630.096377
where:
bonds (distance) C4'-P energy: -113.577
bonds (distance) P-C4' energy: -105.811
flat angles C4'-P-C4' energy: -132.966
flat angles P-C4'-P energy: -82.753
tors. eta vs tors. theta energy: -194.989
Dist. restrs. and SS energy: 8.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1927.532344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.532344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.590382 (E_RNA)
where:
Base-Base interactions energy: -1389.901
where: short stacking energy: -566.520
Base-Backbone interact. energy: 0.219
local terms energy: -559.907978
where:
bonds (distance) C4'-P energy: -97.685
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -121.616
flat angles P-C4'-P energy: -65.789
tors. eta vs tors. theta energy: -168.082
Dist. restrs. and SS energy: 22.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2756.575779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.575779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.299378 (E_RNA)
where:
Base-Base interactions energy: -1952.986
where: short stacking energy: -811.264
Base-Backbone interact. energy: -2.936
local terms energy: -810.377084
where:
bonds (distance) C4'-P energy: -131.309
bonds (distance) P-C4' energy: -152.949
flat angles C4'-P-C4' energy: -172.441
flat angles P-C4'-P energy: -101.904
tors. eta vs tors. theta energy: -251.773
Dist. restrs. and SS energy: 9.724 (S_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: 178
Temperature: 0.950000
Total energy: -2650.365268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.365268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.128982 (E_RNA)
where:
Base-Base interactions energy: -1902.491
where: short stacking energy: -763.597
Base-Backbone interact. energy: -2.410
local terms energy: -756.227957
where:
bonds (distance) C4'-P energy: -137.865
bonds (distance) P-C4' energy: -125.456
flat angles C4'-P-C4' energy: -156.108
flat angles P-C4'-P energy: -100.191
tors. eta vs tors. theta energy: -236.608
Dist. restrs. and SS energy: 10.764 (S_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: 178
Temperature: 1.000000
Total energy: -2605.680311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.680311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.059159 (E_RNA)
where:
Base-Base interactions energy: -1857.899
where: short stacking energy: -742.160
Base-Backbone interact. energy: -1.308
local terms energy: -753.852006
where:
bonds (distance) C4'-P energy: -122.093
bonds (distance) P-C4' energy: -140.613
flat angles C4'-P-C4' energy: -150.267
flat angles P-C4'-P energy: -115.513
tors. eta vs tors. theta energy: -225.366
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2517.852360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.852360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.514938 (E_RNA)
where:
Base-Base interactions energy: -1755.936
where: short stacking energy: -721.360
Base-Backbone interact. energy: -0.517
local terms energy: -767.062536
where:
bonds (distance) C4'-P energy: -131.954
bonds (distance) P-C4' energy: -127.018
flat angles C4'-P-C4' energy: -168.351
flat angles P-C4'-P energy: -105.641
tors. eta vs tors. theta energy: -234.099
Dist. restrs. and SS energy: 5.663 (S_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: 178
Temperature: 1.100000
Total energy: -2471.998798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.998798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.732587 (E_RNA)
where:
Base-Base interactions energy: -1757.058
where: short stacking energy: -723.479
Base-Backbone interact. energy: -4.288
local terms energy: -723.386825
where:
bonds (distance) C4'-P energy: -106.991
bonds (distance) P-C4' energy: -117.142
flat angles C4'-P-C4' energy: -158.077
flat angles P-C4'-P energy: -106.111
tors. eta vs tors. theta energy: -235.066
Dist. restrs. and SS energy: 12.734 (S_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: -2414.380644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.380644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.792271 (E_RNA)
where:
Base-Base interactions energy: -1698.334
where: short stacking energy: -721.470
Base-Backbone interact. energy: -0.490
local terms energy: -733.968120
where:
bonds (distance) C4'-P energy: -125.441
bonds (distance) P-C4' energy: -129.007
flat angles C4'-P-C4' energy: -154.158
flat angles P-C4'-P energy: -103.851
tors. eta vs tors. theta energy: -221.512
Dist. restrs. and SS energy: 18.412 (S_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: 178
Temperature: 1.200000
Total energy: -2303.630756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.630756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.954709 (E_RNA)
where:
Base-Base interactions energy: -1665.156
where: short stacking energy: -664.172
Base-Backbone interact. energy: -1.628
local terms energy: -642.171230
where:
bonds (distance) C4'-P energy: -100.547
bonds (distance) P-C4' energy: -112.902
flat angles C4'-P-C4' energy: -134.857
flat angles P-C4'-P energy: -97.864
tors. eta vs tors. theta energy: -196.002
Dist. restrs. and SS energy: 5.324 (S_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: 178
Temperature: 1.250000
Total energy: -2229.676223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.676223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.902225 (E_RNA)
where:
Base-Base interactions energy: -1599.360
where: short stacking energy: -646.374
Base-Backbone interact. energy: 0.350
local terms energy: -637.892190
where:
bonds (distance) C4'-P energy: -99.190
bonds (distance) P-C4' energy: -116.581
flat angles C4'-P-C4' energy: -143.703
flat angles P-C4'-P energy: -80.420
tors. eta vs tors. theta energy: -197.999
Dist. restrs. and SS energy: 7.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -2167.565015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.565015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.845530 (E_RNA)
where:
Base-Base interactions energy: -1546.014
where: short stacking energy: -635.919
Base-Backbone interact. energy: 0.679
local terms energy: -630.510594
where:
bonds (distance) C4'-P energy: -109.057
bonds (distance) P-C4' energy: -116.913
flat angles C4'-P-C4' energy: -136.948
flat angles P-C4'-P energy: -78.032
tors. eta vs tors. theta energy: -189.560
Dist. restrs. and SS energy: 8.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1936.012162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.012162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.997253 (E_RNA)
where:
Base-Base interactions energy: -1379.190
where: short stacking energy: -536.743
Base-Backbone interact. energy: -2.177
local terms energy: -572.630269
where:
bonds (distance) C4'-P energy: -118.850
bonds (distance) P-C4' energy: -107.103
flat angles C4'-P-C4' energy: -109.248
flat angles P-C4'-P energy: -76.106
tors. eta vs tors. theta energy: -161.322
Dist. restrs. and SS energy: 17.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2768.830218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.830218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.681845 (E_RNA)
where:
Base-Base interactions energy: -1978.265
where: short stacking energy: -808.469
Base-Backbone interact. energy: -0.092
local terms energy: -799.325029
where:
bonds (distance) C4'-P energy: -139.368
bonds (distance) P-C4' energy: -142.193
flat angles C4'-P-C4' energy: -152.200
flat angles P-C4'-P energy: -113.046
tors. eta vs tors. theta energy: -252.518
Dist. restrs. and SS energy: 8.852 (S_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: 179
Temperature: 0.950000
Total energy: -2661.778967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.778967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.374840 (E_RNA)
where:
Base-Base interactions energy: -1887.766
where: short stacking energy: -784.634
Base-Backbone interact. energy: -3.923
local terms energy: -778.685857
where:
bonds (distance) C4'-P energy: -125.101
bonds (distance) P-C4' energy: -127.616
flat angles C4'-P-C4' energy: -163.124
flat angles P-C4'-P energy: -121.398
tors. eta vs tors. theta energy: -241.447
Dist. restrs. and SS energy: 8.596 (S_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: 179
Temperature: 1.000000
Total energy: -2600.688652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.688652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.791411 (E_RNA)
where:
Base-Base interactions energy: -1849.335
where: short stacking energy: -765.797
Base-Backbone interact. energy: -3.206
local terms energy: -760.250325
where:
bonds (distance) C4'-P energy: -127.270
bonds (distance) P-C4' energy: -132.812
flat angles C4'-P-C4' energy: -154.618
flat angles P-C4'-P energy: -108.787
tors. eta vs tors. theta energy: -236.763
Dist. restrs. and SS energy: 12.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2526.404629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.404629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.385766 (E_RNA)
where:
Base-Base interactions energy: -1798.018
where: short stacking energy: -731.343
Base-Backbone interact. energy: -0.044
local terms energy: -733.323989
where:
bonds (distance) C4'-P energy: -130.125
bonds (distance) P-C4' energy: -126.481
flat angles C4'-P-C4' energy: -151.337
flat angles P-C4'-P energy: -97.739
tors. eta vs tors. theta energy: -227.643
Dist. restrs. and SS energy: 4.981 (S_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: 179
Temperature: 1.100000
Total energy: -2468.633121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.633121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.481724 (E_RNA)
where:
Base-Base interactions energy: -1766.474
where: short stacking energy: -722.251
Base-Backbone interact. energy: -3.476
local terms energy: -716.532309
where:
bonds (distance) C4'-P energy: -123.382
bonds (distance) P-C4' energy: -120.738
flat angles C4'-P-C4' energy: -155.028
flat angles P-C4'-P energy: -82.675
tors. eta vs tors. theta energy: -234.709
Dist. restrs. and SS energy: 17.849 (S_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: -2436.292953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.292953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.976414 (E_RNA)
where:
Base-Base interactions energy: -1740.144
where: short stacking energy: -715.203
Base-Backbone interact. energy: -3.082
local terms energy: -706.750220
where:
bonds (distance) C4'-P energy: -112.492
bonds (distance) P-C4' energy: -122.333
flat angles C4'-P-C4' energy: -138.773
flat angles P-C4'-P energy: -114.918
tors. eta vs tors. theta energy: -218.235
Dist. restrs. and SS energy: 13.683 (S_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: 179
Temperature: 1.200000
Total energy: -2312.319789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.319789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.423683 (E_RNA)
where:
Base-Base interactions energy: -1668.821
where: short stacking energy: -666.032
Base-Backbone interact. energy: -2.924
local terms energy: -647.678923
where:
bonds (distance) C4'-P energy: -88.518
bonds (distance) P-C4' energy: -123.615
flat angles C4'-P-C4' energy: -136.704
flat angles P-C4'-P energy: -93.339
tors. eta vs tors. theta energy: -205.503
Dist. restrs. and SS energy: 7.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2226.266954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.266954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.280895 (E_RNA)
where:
Base-Base interactions energy: -1565.293
where: short stacking energy: -664.423
Base-Backbone interact. energy: -0.214
local terms energy: -671.773723
where:
bonds (distance) C4'-P energy: -115.704
bonds (distance) P-C4' energy: -124.344
flat angles C4'-P-C4' energy: -146.695
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -200.581
Dist. restrs. and SS energy: 11.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -2165.610959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.610959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.382555 (E_RNA)
where:
Base-Base interactions energy: -1544.415
where: short stacking energy: -601.823
Base-Backbone interact. energy: -0.825
local terms energy: -631.142661
where:
bonds (distance) C4'-P energy: -104.988
bonds (distance) P-C4' energy: -111.836
flat angles C4'-P-C4' energy: -150.153
flat angles P-C4'-P energy: -76.730
tors. eta vs tors. theta energy: -187.437
Dist. restrs. and SS energy: 10.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1955.155038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.155038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.608332 (E_RNA)
where:
Base-Base interactions energy: -1377.615
where: short stacking energy: -560.791
Base-Backbone interact. energy: 0.268
local terms energy: -605.261294
where:
bonds (distance) C4'-P energy: -88.755
bonds (distance) P-C4' energy: -111.649
flat angles C4'-P-C4' energy: -140.058
flat angles P-C4'-P energy: -87.542
tors. eta vs tors. theta energy: -177.258
Dist. restrs. and SS energy: 27.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2749.070744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.070744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.289046 (E_RNA)
where:
Base-Base interactions energy: -1947.559
where: short stacking energy: -808.452
Base-Backbone interact. energy: -2.225
local terms energy: -810.504768
where:
bonds (distance) C4'-P energy: -131.829
bonds (distance) P-C4' energy: -131.930
flat angles C4'-P-C4' energy: -168.552
flat angles P-C4'-P energy: -127.506
tors. eta vs tors. theta energy: -250.687
Dist. restrs. and SS energy: 11.218 (S_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: 180
Temperature: 0.950000
Total energy: -2665.205807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.205807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.797618 (E_RNA)
where:
Base-Base interactions energy: -1886.204
where: short stacking energy: -774.641
Base-Backbone interact. energy: -0.012
local terms energy: -788.580925
where:
bonds (distance) C4'-P energy: -139.444
bonds (distance) P-C4' energy: -137.488
flat angles C4'-P-C4' energy: -160.771
flat angles P-C4'-P energy: -106.905
tors. eta vs tors. theta energy: -243.974
Dist. restrs. and SS energy: 9.592 (S_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: 180
Temperature: 1.000000
Total energy: -2644.774952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.774952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.306955 (E_RNA)
where:
Base-Base interactions energy: -1848.870
where: short stacking energy: -758.187
Base-Backbone interact. energy: -2.928
local terms energy: -805.509160
where:
bonds (distance) C4'-P energy: -141.246
bonds (distance) P-C4' energy: -138.241
flat angles C4'-P-C4' energy: -158.175
flat angles P-C4'-P energy: -124.621
tors. eta vs tors. theta energy: -243.227
Dist. restrs. and SS energy: 12.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2521.603310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.603310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.900137 (E_RNA)
where:
Base-Base interactions energy: -1772.323
where: short stacking energy: -721.385
Base-Backbone interact. energy: -1.019
local terms energy: -754.558459
where:
bonds (distance) C4'-P energy: -123.854
bonds (distance) P-C4' energy: -124.139
flat angles C4'-P-C4' energy: -154.688
flat angles P-C4'-P energy: -120.656
tors. eta vs tors. theta energy: -231.222
Dist. restrs. and SS energy: 6.297 (S_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: -2453.173456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.173456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.857264 (E_RNA)
where:
Base-Base interactions energy: -1763.779
where: short stacking energy: -716.927
Base-Backbone interact. energy: -1.812
local terms energy: -696.265616
where:
bonds (distance) C4'-P energy: -97.336
bonds (distance) P-C4' energy: -136.478
flat angles C4'-P-C4' energy: -152.957
flat angles P-C4'-P energy: -89.446
tors. eta vs tors. theta energy: -220.049
Dist. restrs. and SS energy: 8.684 (S_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: 180
Temperature: 1.150000
Total energy: -2447.027288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.027288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.258954 (E_RNA)
where:
Base-Base interactions energy: -1748.143
where: short stacking energy: -723.717
Base-Backbone interact. energy: -0.145
local terms energy: -711.971486
where:
bonds (distance) C4'-P energy: -108.296
bonds (distance) P-C4' energy: -123.839
flat angles C4'-P-C4' energy: -158.789
flat angles P-C4'-P energy: -95.186
tors. eta vs tors. theta energy: -225.861
Dist. restrs. and SS energy: 13.232 (S_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: 180
Temperature: 1.200000
Total energy: -2289.223512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.223512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.031544 (E_RNA)
where:
Base-Base interactions energy: -1644.402
where: short stacking energy: -680.884
Base-Backbone interact. energy: -2.213
local terms energy: -649.416174
where:
bonds (distance) C4'-P energy: -115.521
bonds (distance) P-C4' energy: -94.018
flat angles C4'-P-C4' energy: -132.812
flat angles P-C4'-P energy: -98.727
tors. eta vs tors. theta energy: -208.338
Dist. restrs. and SS energy: 6.808 (S_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: 180
Temperature: 1.250000
Total energy: -2170.849168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.849168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.413240 (E_RNA)
where:
Base-Base interactions energy: -1551.431
where: short stacking energy: -631.301
Base-Backbone interact. energy: -1.925
local terms energy: -626.057241
where:
bonds (distance) C4'-P energy: -114.359
bonds (distance) P-C4' energy: -110.494
flat angles C4'-P-C4' energy: -126.891
flat angles P-C4'-P energy: -91.751
tors. eta vs tors. theta energy: -182.562
Dist. restrs. and SS energy: 8.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -2178.514462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.514462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.779229 (E_RNA)
where:
Base-Base interactions energy: -1569.365
where: short stacking energy: -627.644
Base-Backbone interact. energy: -2.149
local terms energy: -618.265168
where:
bonds (distance) C4'-P energy: -103.110
bonds (distance) P-C4' energy: -109.835
flat angles C4'-P-C4' energy: -131.259
flat angles P-C4'-P energy: -86.517
tors. eta vs tors. theta energy: -187.543
Dist. restrs. and SS energy: 11.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1930.735012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.735012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.776633 (E_RNA)
where:
Base-Base interactions energy: -1378.116
where: short stacking energy: -566.068
Base-Backbone interact. energy: -1.383
local terms energy: -570.278324
where:
bonds (distance) C4'-P energy: -97.472
bonds (distance) P-C4' energy: -118.296
flat angles C4'-P-C4' energy: -119.983
flat angles P-C4'-P energy: -80.358
tors. eta vs tors. theta energy: -154.169
Dist. restrs. and SS energy: 19.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2739.236869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.236869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.890395 (E_RNA)
where:
Base-Base interactions energy: -1933.873
where: short stacking energy: -815.610
Base-Backbone interact. energy: 1.668
local terms energy: -816.685664
where:
bonds (distance) C4'-P energy: -131.991
bonds (distance) P-C4' energy: -146.084
flat angles C4'-P-C4' energy: -173.404
flat angles P-C4'-P energy: -119.341
tors. eta vs tors. theta energy: -245.865
Dist. restrs. and SS energy: 9.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2673.684535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.684535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.131295 (E_RNA)
where:
Base-Base interactions energy: -1896.136
where: short stacking energy: -767.671
Base-Backbone interact. energy: -1.092
local terms energy: -788.904229
where:
bonds (distance) C4'-P energy: -136.798
bonds (distance) P-C4' energy: -136.648
flat angles C4'-P-C4' energy: -167.553
flat angles P-C4'-P energy: -112.403
tors. eta vs tors. theta energy: -235.503
Dist. restrs. and SS energy: 12.447 (S_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: 181
Temperature: 1.000000
Total energy: -2612.904496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.904496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.126752 (E_RNA)
where:
Base-Base interactions energy: -1863.794
where: short stacking energy: -761.926
Base-Backbone interact. energy: -0.786
local terms energy: -759.547098
where:
bonds (distance) C4'-P energy: -129.736
bonds (distance) P-C4' energy: -128.806
flat angles C4'-P-C4' energy: -162.080
flat angles P-C4'-P energy: -102.952
tors. eta vs tors. theta energy: -235.973
Dist. restrs. and SS energy: 11.222 (S_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: 181
Temperature: 1.050000
Total energy: -2556.517672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.517672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.808981 (E_RNA)
where:
Base-Base interactions energy: -1805.843
where: short stacking energy: -740.818
Base-Backbone interact. energy: -1.742
local terms energy: -756.223932
where:
bonds (distance) C4'-P energy: -126.883
bonds (distance) P-C4' energy: -126.054
flat angles C4'-P-C4' energy: -162.022
flat angles P-C4'-P energy: -105.497
tors. eta vs tors. theta energy: -235.767
Dist. restrs. and SS energy: 7.291 (S_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: -2495.475800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.475800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.833542 (E_RNA)
where:
Base-Base interactions energy: -1789.385
where: short stacking energy: -742.506
Base-Backbone interact. energy: -0.521
local terms energy: -715.928103
where:
bonds (distance) C4'-P energy: -108.441
bonds (distance) P-C4' energy: -124.879
flat angles C4'-P-C4' energy: -151.202
flat angles P-C4'-P energy: -102.375
tors. eta vs tors. theta energy: -229.031
Dist. restrs. and SS energy: 10.358 (S_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: 181
Temperature: 1.150000
Total energy: -2453.914109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.914109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.851101 (E_RNA)
where:
Base-Base interactions energy: -1749.268
where: short stacking energy: -721.103
Base-Backbone interact. energy: -2.915
local terms energy: -708.668667
where:
bonds (distance) C4'-P energy: -126.553
bonds (distance) P-C4' energy: -123.108
flat angles C4'-P-C4' energy: -137.976
flat angles P-C4'-P energy: -97.830
tors. eta vs tors. theta energy: -223.202
Dist. restrs. and SS energy: 6.937 (S_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: 181
Temperature: 1.200000
Total energy: -2377.193265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.193265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.748252 (E_RNA)
where:
Base-Base interactions energy: -1703.096
where: short stacking energy: -700.835
Base-Backbone interact. energy: 1.369
local terms energy: -680.021357
where:
bonds (distance) C4'-P energy: -110.050
bonds (distance) P-C4' energy: -105.813
flat angles C4'-P-C4' energy: -156.618
flat angles P-C4'-P energy: -90.862
tors. eta vs tors. theta energy: -216.678
Dist. restrs. and SS energy: 4.555 (S_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: 181
Temperature: 1.250000
Total energy: -2185.777444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.777444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.121109 (E_RNA)
where:
Base-Base interactions energy: -1556.915
where: short stacking energy: -645.012
Base-Backbone interact. energy: 2.095
local terms energy: -644.300397
where:
bonds (distance) C4'-P energy: -109.548
bonds (distance) P-C4' energy: -126.983
flat angles C4'-P-C4' energy: -131.497
flat angles P-C4'-P energy: -90.171
tors. eta vs tors. theta energy: -186.102
Dist. restrs. and SS energy: 13.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -2132.791488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.791488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.533040 (E_RNA)
where:
Base-Base interactions energy: -1494.389
where: short stacking energy: -587.506
Base-Backbone interact. energy: -0.918
local terms energy: -647.226419
where:
bonds (distance) C4'-P energy: -112.383
bonds (distance) P-C4' energy: -123.329
flat angles C4'-P-C4' energy: -148.576
flat angles P-C4'-P energy: -80.634
tors. eta vs tors. theta energy: -182.304
Dist. restrs. and SS energy: 9.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1939.433174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.433174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.738612 (E_RNA)
where:
Base-Base interactions energy: -1395.541
where: short stacking energy: -565.986
Base-Backbone interact. energy: -1.763
local terms energy: -560.435343
where:
bonds (distance) C4'-P energy: -101.651
bonds (distance) P-C4' energy: -105.612
flat angles C4'-P-C4' energy: -126.085
flat angles P-C4'-P energy: -52.845
tors. eta vs tors. theta energy: -174.243
Dist. restrs. and SS energy: 18.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2773.834491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.834491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.378550 (E_RNA)
where:
Base-Base interactions energy: -1942.251
where: short stacking energy: -795.583
Base-Backbone interact. energy: -2.036
local terms energy: -839.091570
where:
bonds (distance) C4'-P energy: -154.557
bonds (distance) P-C4' energy: -142.792
flat angles C4'-P-C4' energy: -175.027
flat angles P-C4'-P energy: -122.331
tors. eta vs tors. theta energy: -244.384
Dist. restrs. and SS energy: 9.544 (S_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: 182
Temperature: 0.950000
Total energy: -2639.791618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.791618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.754313 (E_RNA)
where:
Base-Base interactions energy: -1876.892
where: short stacking energy: -752.761
Base-Backbone interact. energy: -2.770
local terms energy: -771.092733
where:
bonds (distance) C4'-P energy: -128.611
bonds (distance) P-C4' energy: -142.006
flat angles C4'-P-C4' energy: -160.769
flat angles P-C4'-P energy: -107.730
tors. eta vs tors. theta energy: -231.977
Dist. restrs. and SS energy: 10.963 (S_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: 182
Temperature: 1.000000
Total energy: -2611.862966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.862966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.145606 (E_RNA)
where:
Base-Base interactions energy: -1855.082
where: short stacking energy: -767.474
Base-Backbone interact. energy: -1.711
local terms energy: -766.352231
where:
bonds (distance) C4'-P energy: -126.742
bonds (distance) P-C4' energy: -143.914
flat angles C4'-P-C4' energy: -155.592
flat angles P-C4'-P energy: -97.757
tors. eta vs tors. theta energy: -242.347
Dist. restrs. and SS energy: 11.283 (S_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: 182
Temperature: 1.050000
Total energy: -2554.664123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.664123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.971139 (E_RNA)
where:
Base-Base interactions energy: -1817.000
where: short stacking energy: -754.661
Base-Backbone interact. energy: -2.051
local terms energy: -742.919358
where:
bonds (distance) C4'-P energy: -122.625
bonds (distance) P-C4' energy: -126.071
flat angles C4'-P-C4' energy: -147.485
flat angles P-C4'-P energy: -101.615
tors. eta vs tors. theta energy: -245.123
Dist. restrs. and SS energy: 7.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2486.511917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.511917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.713644 (E_RNA)
where:
Base-Base interactions energy: -1737.955
where: short stacking energy: -697.237
Base-Backbone interact. energy: -1.954
local terms energy: -757.804893
where:
bonds (distance) C4'-P energy: -135.740
bonds (distance) P-C4' energy: -134.063
flat angles C4'-P-C4' energy: -164.508
flat angles P-C4'-P energy: -97.292
tors. eta vs tors. theta energy: -226.202
Dist. restrs. and SS energy: 11.202 (S_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: 182
Temperature: 1.150000
Total energy: -2397.113547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.113547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.739878 (E_RNA)
where:
Base-Base interactions energy: -1710.263
where: short stacking energy: -684.489
Base-Backbone interact. energy: -2.934
local terms energy: -695.542622
where:
bonds (distance) C4'-P energy: -102.299
bonds (distance) P-C4' energy: -130.181
flat angles C4'-P-C4' energy: -144.059
flat angles P-C4'-P energy: -97.222
tors. eta vs tors. theta energy: -221.781
Dist. restrs. and SS energy: 11.626 (S_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: -2427.373989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.373989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.707230 (E_RNA)
where:
Base-Base interactions energy: -1738.054
where: short stacking energy: -697.768
Base-Backbone interact. energy: -4.000
local terms energy: -690.653033
where:
bonds (distance) C4'-P energy: -109.471
bonds (distance) P-C4' energy: -110.977
flat angles C4'-P-C4' energy: -152.711
flat angles P-C4'-P energy: -94.269
tors. eta vs tors. theta energy: -223.225
Dist. restrs. and SS energy: 5.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2193.587256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.587256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.874334 (E_RNA)
where:
Base-Base interactions energy: -1580.742
where: short stacking energy: -637.572
Base-Backbone interact. energy: -0.251
local terms energy: -624.880721
where:
bonds (distance) C4'-P energy: -99.396
bonds (distance) P-C4' energy: -119.233
flat angles C4'-P-C4' energy: -128.042
flat angles P-C4'-P energy: -84.563
tors. eta vs tors. theta energy: -193.646
Dist. restrs. and SS energy: 12.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -2144.575271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.575271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.077037 (E_RNA)
where:
Base-Base interactions energy: -1529.657
where: short stacking energy: -593.093
Base-Backbone interact. energy: -3.217
local terms energy: -626.202788
where:
bonds (distance) C4'-P energy: -110.339
bonds (distance) P-C4' energy: -108.246
flat angles C4'-P-C4' energy: -132.045
flat angles P-C4'-P energy: -77.861
tors. eta vs tors. theta energy: -197.712
Dist. restrs. and SS energy: 14.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -2058.290027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.290027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.468620 (E_RNA)
where:
Base-Base interactions energy: -1468.276
where: short stacking energy: -581.547
Base-Backbone interact. energy: 0.033
local terms energy: -606.225700
where:
bonds (distance) C4'-P energy: -106.199
bonds (distance) P-C4' energy: -109.291
flat angles C4'-P-C4' energy: -118.646
flat angles P-C4'-P energy: -89.761
tors. eta vs tors. theta energy: -182.328
Dist. restrs. and SS energy: 16.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2735.373973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.373973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.702911 (E_RNA)
where:
Base-Base interactions energy: -1948.754
where: short stacking energy: -815.193
Base-Backbone interact. energy: -0.403
local terms energy: -796.546009
where:
bonds (distance) C4'-P energy: -136.207
bonds (distance) P-C4' energy: -139.402
flat angles C4'-P-C4' energy: -168.834
flat angles P-C4'-P energy: -107.132
tors. eta vs tors. theta energy: -244.970
Dist. restrs. and SS energy: 10.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2632.947989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.947989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.137558 (E_RNA)
where:
Base-Base interactions energy: -1858.104
where: short stacking energy: -758.865
Base-Backbone interact. energy: -3.459
local terms energy: -782.573840
where:
bonds (distance) C4'-P energy: -134.632
bonds (distance) P-C4' energy: -138.832
flat angles C4'-P-C4' energy: -163.015
flat angles P-C4'-P energy: -116.199
tors. eta vs tors. theta energy: -229.897
Dist. restrs. and SS energy: 11.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2598.648417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.648417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.016433 (E_RNA)
where:
Base-Base interactions energy: -1843.034
where: short stacking energy: -762.353
Base-Backbone interact. energy: -3.224
local terms energy: -764.758971
where:
bonds (distance) C4'-P energy: -127.833
bonds (distance) P-C4' energy: -125.128
flat angles C4'-P-C4' energy: -158.325
flat angles P-C4'-P energy: -111.368
tors. eta vs tors. theta energy: -242.106
Dist. restrs. and SS energy: 12.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2546.791460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.791460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.940268 (E_RNA)
where:
Base-Base interactions energy: -1811.265
where: short stacking energy: -764.170
Base-Backbone interact. energy: -2.286
local terms energy: -740.389124
where:
bonds (distance) C4'-P energy: -138.826
bonds (distance) P-C4' energy: -130.593
flat angles C4'-P-C4' energy: -160.477
flat angles P-C4'-P energy: -83.693
tors. eta vs tors. theta energy: -226.800
Dist. restrs. and SS energy: 7.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2486.012906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.012906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.981246 (E_RNA)
where:
Base-Base interactions energy: -1776.153
where: short stacking energy: -718.699
Base-Backbone interact. energy: 1.702
local terms energy: -719.530120
where:
bonds (distance) C4'-P energy: -119.801
bonds (distance) P-C4' energy: -133.739
flat angles C4'-P-C4' energy: -151.464
flat angles P-C4'-P energy: -94.726
tors. eta vs tors. theta energy: -219.800
Dist. restrs. and SS energy: 7.968 (S_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: 183
Temperature: 1.150000
Total energy: -2373.907889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.907889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.826712 (E_RNA)
where:
Base-Base interactions energy: -1702.798
where: short stacking energy: -697.489
Base-Backbone interact. energy: -3.068
local terms energy: -679.960847
where:
bonds (distance) C4'-P energy: -111.947
bonds (distance) P-C4' energy: -125.466
flat angles C4'-P-C4' energy: -138.821
flat angles P-C4'-P energy: -82.802
tors. eta vs tors. theta energy: -220.925
Dist. restrs. and SS energy: 11.919 (S_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: 183
Temperature: 1.200000
Total energy: -2395.570537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.570537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.502885 (E_RNA)
where:
Base-Base interactions energy: -1694.573
where: short stacking energy: -694.290
Base-Backbone interact. energy: -1.089
local terms energy: -705.840961
where:
bonds (distance) C4'-P energy: -120.499
bonds (distance) P-C4' energy: -115.070
flat angles C4'-P-C4' energy: -153.716
flat angles P-C4'-P energy: -104.568
tors. eta vs tors. theta energy: -211.988
Dist. restrs. and SS energy: 5.932 (S_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: 183
Temperature: 1.250000
Total energy: -2188.242496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.242496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.583609 (E_RNA)
where:
Base-Base interactions energy: -1561.063
where: short stacking energy: -631.281
Base-Backbone interact. energy: -2.854
local terms energy: -632.666778
where:
bonds (distance) C4'-P energy: -88.985
bonds (distance) P-C4' energy: -106.598
flat angles C4'-P-C4' energy: -147.716
flat angles P-C4'-P energy: -95.819
tors. eta vs tors. theta energy: -193.550
Dist. restrs. and SS energy: 8.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -2162.353078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.353078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.207246 (E_RNA)
where:
Base-Base interactions energy: -1544.818
where: short stacking energy: -627.795
Base-Backbone interact. energy: -1.774
local terms energy: -625.615707
where:
bonds (distance) C4'-P energy: -123.388
bonds (distance) P-C4' energy: -106.744
flat angles C4'-P-C4' energy: -137.108
flat angles P-C4'-P energy: -77.019
tors. eta vs tors. theta energy: -181.356
Dist. restrs. and SS energy: 9.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1997.195704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.195704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.441467 (E_RNA)
where:
Base-Base interactions energy: -1452.087
where: short stacking energy: -591.626
Base-Backbone interact. energy: -2.848
local terms energy: -558.505833
where:
bonds (distance) C4'-P energy: -69.688
bonds (distance) P-C4' energy: -108.603
flat angles C4'-P-C4' energy: -122.091
flat angles P-C4'-P energy: -75.730
tors. eta vs tors. theta energy: -182.394
Dist. restrs. and SS energy: 16.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2732.606320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.606320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.409835 (E_RNA)
where:
Base-Base interactions energy: -1916.797
where: short stacking energy: -810.588
Base-Backbone interact. energy: -1.345
local terms energy: -827.267739
where:
bonds (distance) C4'-P energy: -135.151
bonds (distance) P-C4' energy: -143.046
flat angles C4'-P-C4' energy: -171.806
flat angles P-C4'-P energy: -123.654
tors. eta vs tors. theta energy: -253.611
Dist. restrs. and SS energy: 12.804 (S_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: 184
Temperature: 0.950000
Total energy: -2642.203700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.203700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.971508 (E_RNA)
where:
Base-Base interactions energy: -1877.120
where: short stacking energy: -772.276
Base-Backbone interact. energy: -1.692
local terms energy: -772.160246
where:
bonds (distance) C4'-P energy: -137.104
bonds (distance) P-C4' energy: -132.493
flat angles C4'-P-C4' energy: -161.904
flat angles P-C4'-P energy: -109.436
tors. eta vs tors. theta energy: -231.223
Dist. restrs. and SS energy: 8.768 (S_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: 184
Temperature: 1.000000
Total energy: -2596.727638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.727638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.336443 (E_RNA)
where:
Base-Base interactions energy: -1859.636
where: short stacking energy: -751.534
Base-Backbone interact. energy: -0.177
local terms energy: -749.523347
where:
bonds (distance) C4'-P energy: -128.705
bonds (distance) P-C4' energy: -123.891
flat angles C4'-P-C4' energy: -154.173
flat angles P-C4'-P energy: -100.874
tors. eta vs tors. theta energy: -241.880
Dist. restrs. and SS energy: 12.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2541.262483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.262483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.963029 (E_RNA)
where:
Base-Base interactions energy: -1811.121
where: short stacking energy: -768.266
Base-Backbone interact. energy: -2.373
local terms energy: -733.468789
where:
bonds (distance) C4'-P energy: -116.268
bonds (distance) P-C4' energy: -127.945
flat angles C4'-P-C4' energy: -145.348
flat angles P-C4'-P energy: -99.623
tors. eta vs tors. theta energy: -244.285
Dist. restrs. and SS energy: 5.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2474.303742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.303742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.421955 (E_RNA)
where:
Base-Base interactions energy: -1753.736
where: short stacking energy: -731.024
Base-Backbone interact. energy: -1.102
local terms energy: -733.584115
where:
bonds (distance) C4'-P energy: -127.005
bonds (distance) P-C4' energy: -127.368
flat angles C4'-P-C4' energy: -146.831
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -225.515
Dist. restrs. and SS energy: 14.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2419.487049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.487049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.063947 (E_RNA)
where:
Base-Base interactions energy: -1744.228
where: short stacking energy: -706.526
Base-Backbone interact. energy: -0.060
local terms energy: -685.776489
where:
bonds (distance) C4'-P energy: -119.120
bonds (distance) P-C4' energy: -120.702
flat angles C4'-P-C4' energy: -151.578
flat angles P-C4'-P energy: -85.267
tors. eta vs tors. theta energy: -209.110
Dist. restrs. and SS energy: 10.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2363.617970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.617970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.596811 (E_RNA)
where:
Base-Base interactions energy: -1693.157
where: short stacking energy: -652.972
Base-Backbone interact. energy: 0.203
local terms energy: -676.642733
where:
bonds (distance) C4'-P energy: -123.187
bonds (distance) P-C4' energy: -115.824
flat angles C4'-P-C4' energy: -134.398
flat angles P-C4'-P energy: -102.052
tors. eta vs tors. theta energy: -201.182
Dist. restrs. and SS energy: 5.979 (S_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: 184
Temperature: 1.250000
Total energy: -2226.973475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.973475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.131160 (E_RNA)
where:
Base-Base interactions energy: -1587.372
where: short stacking energy: -640.127
Base-Backbone interact. energy: -0.029
local terms energy: -646.729753
where:
bonds (distance) C4'-P energy: -116.734
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -148.850
flat angles P-C4'-P energy: -82.489
tors. eta vs tors. theta energy: -185.921
Dist. restrs. and SS energy: 7.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -2088.133177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.133177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.402552 (E_RNA)
where:
Base-Base interactions energy: -1496.772
where: short stacking energy: -621.373
Base-Backbone interact. energy: 0.426
local terms energy: -611.057022
where:
bonds (distance) C4'-P energy: -104.051
bonds (distance) P-C4' energy: -109.551
flat angles C4'-P-C4' energy: -130.606
flat angles P-C4'-P energy: -91.929
tors. eta vs tors. theta energy: -174.920
Dist. restrs. and SS energy: 19.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -2090.820321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.820321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.169802 (E_RNA)
where:
Base-Base interactions energy: -1526.135
where: short stacking energy: -612.652
Base-Backbone interact. energy: -0.725
local terms energy: -575.309682
where:
bonds (distance) C4'-P energy: -86.010
bonds (distance) P-C4' energy: -117.694
flat angles C4'-P-C4' energy: -131.538
flat angles P-C4'-P energy: -52.989
tors. eta vs tors. theta energy: -187.079
Dist. restrs. and SS energy: 11.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2755.569402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.569402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.873938 (E_RNA)
where:
Base-Base interactions energy: -1953.740
where: short stacking energy: -813.078
Base-Backbone interact. energy: -0.383
local terms energy: -813.751845
where:
bonds (distance) C4'-P energy: -154.016
bonds (distance) P-C4' energy: -138.749
flat angles C4'-P-C4' energy: -165.517
flat angles P-C4'-P energy: -112.383
tors. eta vs tors. theta energy: -243.087
Dist. restrs. and SS energy: 12.305 (S_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: 185
Temperature: 0.950000
Total energy: -2663.324196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.324196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.955717 (E_RNA)
where:
Base-Base interactions energy: -1890.466
where: short stacking energy: -780.134
Base-Backbone interact. energy: -2.382
local terms energy: -778.107552
where:
bonds (distance) C4'-P energy: -118.989
bonds (distance) P-C4' energy: -136.782
flat angles C4'-P-C4' energy: -166.389
flat angles P-C4'-P energy: -122.092
tors. eta vs tors. theta energy: -233.856
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2609.879528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.879528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.746521 (E_RNA)
where:
Base-Base interactions energy: -1843.794
where: short stacking energy: -756.569
Base-Backbone interact. energy: -2.058
local terms energy: -769.894663
where:
bonds (distance) C4'-P energy: -126.531
bonds (distance) P-C4' energy: -136.854
flat angles C4'-P-C4' energy: -164.872
flat angles P-C4'-P energy: -109.825
tors. eta vs tors. theta energy: -231.814
Dist. restrs. and SS energy: 5.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2495.310113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.310113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.305144 (E_RNA)
where:
Base-Base interactions energy: -1775.734
where: short stacking energy: -732.561
Base-Backbone interact. energy: -2.682
local terms energy: -727.888919
where:
bonds (distance) C4'-P energy: -119.254
bonds (distance) P-C4' energy: -132.388
flat angles C4'-P-C4' energy: -138.484
flat angles P-C4'-P energy: -109.321
tors. eta vs tors. theta energy: -228.443
Dist. restrs. and SS energy: 10.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2519.797436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.797436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.270327 (E_RNA)
where:
Base-Base interactions energy: -1793.384
where: short stacking energy: -751.588
Base-Backbone interact. energy: 2.623
local terms energy: -738.509318
where:
bonds (distance) C4'-P energy: -107.106
bonds (distance) P-C4' energy: -124.542
flat angles C4'-P-C4' energy: -155.608
flat angles P-C4'-P energy: -111.652
tors. eta vs tors. theta energy: -239.603
Dist. restrs. and SS energy: 9.473 (S_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: 185
Temperature: 1.150000
Total energy: -2461.301633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.301633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.827146 (E_RNA)
where:
Base-Base interactions energy: -1757.957
where: short stacking energy: -717.553
Base-Backbone interact. energy: -0.053
local terms energy: -715.816621
where:
bonds (distance) C4'-P energy: -115.069
bonds (distance) P-C4' energy: -114.937
flat angles C4'-P-C4' energy: -160.995
flat angles P-C4'-P energy: -106.184
tors. eta vs tors. theta energy: -218.631
Dist. restrs. and SS energy: 12.526 (S_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: -2361.192688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.192688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.490292 (E_RNA)
where:
Base-Base interactions energy: -1659.496
where: short stacking energy: -671.672
Base-Backbone interact. energy: -2.763
local terms energy: -711.231140
where:
bonds (distance) C4'-P energy: -131.529
bonds (distance) P-C4' energy: -112.224
flat angles C4'-P-C4' energy: -155.965
flat angles P-C4'-P energy: -112.235
tors. eta vs tors. theta energy: -199.278
Dist. restrs. and SS energy: 12.298 (S_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: 185
Temperature: 1.250000
Total energy: -2205.787832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.787832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.964850 (E_RNA)
where:
Base-Base interactions energy: -1584.801
where: short stacking energy: -619.485
Base-Backbone interact. energy: -2.396
local terms energy: -625.768035
where:
bonds (distance) C4'-P energy: -104.967
bonds (distance) P-C4' energy: -108.550
flat angles C4'-P-C4' energy: -126.329
flat angles P-C4'-P energy: -87.947
tors. eta vs tors. theta energy: -197.975
Dist. restrs. and SS energy: 7.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -2133.997846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.997846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.075429 (E_RNA)
where:
Base-Base interactions energy: -1531.226
where: short stacking energy: -608.418
Base-Backbone interact. energy: -1.965
local terms energy: -609.884690
where:
bonds (distance) C4'-P energy: -99.789
bonds (distance) P-C4' energy: -105.313
flat angles C4'-P-C4' energy: -132.127
flat angles P-C4'-P energy: -87.049
tors. eta vs tors. theta energy: -185.607
Dist. restrs. and SS energy: 9.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -2079.957123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.957123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.415262 (E_RNA)
where:
Base-Base interactions energy: -1484.529
where: short stacking energy: -605.940
Base-Backbone interact. energy: -0.211
local terms energy: -607.676140
where:
bonds (distance) C4'-P energy: -105.813
bonds (distance) P-C4' energy: -116.812
flat angles C4'-P-C4' energy: -119.017
flat angles P-C4'-P energy: -90.081
tors. eta vs tors. theta energy: -175.953
Dist. restrs. and SS energy: 12.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2763.513440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.513440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.191924 (E_RNA)
where:
Base-Base interactions energy: -1940.805
where: short stacking energy: -820.248
Base-Backbone interact. energy: -2.645
local terms energy: -830.741943
where:
bonds (distance) C4'-P energy: -147.341
bonds (distance) P-C4' energy: -136.515
flat angles C4'-P-C4' energy: -165.007
flat angles P-C4'-P energy: -123.763
tors. eta vs tors. theta energy: -258.116
Dist. restrs. and SS energy: 10.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2666.250892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.250892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.573531 (E_RNA)
where:
Base-Base interactions energy: -1873.750
where: short stacking energy: -776.688
Base-Backbone interact. energy: -3.101
local terms energy: -797.722709
where:
bonds (distance) C4'-P energy: -146.552
bonds (distance) P-C4' energy: -125.453
flat angles C4'-P-C4' energy: -163.513
flat angles P-C4'-P energy: -128.725
tors. eta vs tors. theta energy: -233.480
Dist. restrs. and SS energy: 8.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2611.845596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.845596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.634193 (E_RNA)
where:
Base-Base interactions energy: -1878.150
where: short stacking energy: -780.909
Base-Backbone interact. energy: 0.498
local terms energy: -740.982375
where:
bonds (distance) C4'-P energy: -110.575
bonds (distance) P-C4' energy: -129.320
flat angles C4'-P-C4' energy: -152.769
flat angles P-C4'-P energy: -109.953
tors. eta vs tors. theta energy: -238.366
Dist. restrs. and SS energy: 6.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2507.408583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.408583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.087735 (E_RNA)
where:
Base-Base interactions energy: -1798.552
where: short stacking energy: -755.557
Base-Backbone interact. energy: -1.659
local terms energy: -721.877352
where:
bonds (distance) C4'-P energy: -126.695
bonds (distance) P-C4' energy: -116.080
flat angles C4'-P-C4' energy: -151.268
flat angles P-C4'-P energy: -105.041
tors. eta vs tors. theta energy: -222.793
Dist. restrs. and SS energy: 14.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2500.699171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.699171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.877487 (E_RNA)
where:
Base-Base interactions energy: -1778.676
where: short stacking energy: -731.229
Base-Backbone interact. energy: -2.153
local terms energy: -729.048642
where:
bonds (distance) C4'-P energy: -123.187
bonds (distance) P-C4' energy: -127.309
flat angles C4'-P-C4' energy: -151.438
flat angles P-C4'-P energy: -96.107
tors. eta vs tors. theta energy: -231.008
Dist. restrs. and SS energy: 9.178 (S_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: 186
Temperature: 1.150000
Total energy: -2394.396676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.396676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.599049 (E_RNA)
where:
Base-Base interactions energy: -1703.051
where: short stacking energy: -679.634
Base-Backbone interact. energy: -3.339
local terms energy: -696.209643
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -131.082
flat angles C4'-P-C4' energy: -143.150
flat angles P-C4'-P energy: -94.506
tors. eta vs tors. theta energy: -224.076
Dist. restrs. and SS energy: 8.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2357.864691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.864691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.277820 (E_RNA)
where:
Base-Base interactions energy: -1674.029
where: short stacking energy: -662.476
Base-Backbone interact. energy: 0.309
local terms energy: -693.557469
where:
bonds (distance) C4'-P energy: -126.415
bonds (distance) P-C4' energy: -112.627
flat angles C4'-P-C4' energy: -144.237
flat angles P-C4'-P energy: -96.440
tors. eta vs tors. theta energy: -213.839
Dist. restrs. and SS energy: 9.413 (S_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: 186
Temperature: 1.250000
Total energy: -2265.543718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.543718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.836765 (E_RNA)
where:
Base-Base interactions energy: -1617.055
where: short stacking energy: -635.691
Base-Backbone interact. energy: -2.360
local terms energy: -656.421495
where:
bonds (distance) C4'-P energy: -102.370
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -156.686
flat angles P-C4'-P energy: -92.051
tors. eta vs tors. theta energy: -191.926
Dist. restrs. and SS energy: 10.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -2142.276500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.276500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.577568 (E_RNA)
where:
Base-Base interactions energy: -1523.926
where: short stacking energy: -598.996
Base-Backbone interact. energy: 0.945
local terms energy: -627.595846
where:
bonds (distance) C4'-P energy: -108.602
bonds (distance) P-C4' energy: -95.295
flat angles C4'-P-C4' energy: -128.910
flat angles P-C4'-P energy: -105.003
tors. eta vs tors. theta energy: -189.785
Dist. restrs. and SS energy: 8.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -2030.416142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.416142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.681853 (E_RNA)
where:
Base-Base interactions energy: -1408.254
where: short stacking energy: -578.620
Base-Backbone interact. energy: 0.740
local terms energy: -644.167282
where:
bonds (distance) C4'-P energy: -125.725
bonds (distance) P-C4' energy: -113.369
flat angles C4'-P-C4' energy: -142.597
flat angles P-C4'-P energy: -78.876
tors. eta vs tors. theta energy: -183.601
Dist. restrs. and SS energy: 21.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2763.373559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.373559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.509007 (E_RNA)
where:
Base-Base interactions energy: -1989.728
where: short stacking energy: -815.699
Base-Backbone interact. energy: 2.222
local terms energy: -784.003579
where:
bonds (distance) C4'-P energy: -134.707
bonds (distance) P-C4' energy: -121.555
flat angles C4'-P-C4' energy: -163.236
flat angles P-C4'-P energy: -114.139
tors. eta vs tors. theta energy: -250.366
Dist. restrs. and SS energy: 8.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2679.126282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.126282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.529785 (E_RNA)
where:
Base-Base interactions energy: -1902.981
where: short stacking energy: -766.441
Base-Backbone interact. energy: -1.341
local terms energy: -783.207514
where:
bonds (distance) C4'-P energy: -131.099
bonds (distance) P-C4' energy: -132.195
flat angles C4'-P-C4' energy: -170.240
flat angles P-C4'-P energy: -115.442
tors. eta vs tors. theta energy: -234.230
Dist. restrs. and SS energy: 8.404 (S_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: 187
Temperature: 1.000000
Total energy: -2618.843119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.843119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.834331 (E_RNA)
where:
Base-Base interactions energy: -1861.294
where: short stacking energy: -769.391
Base-Backbone interact. energy: 0.201
local terms energy: -761.741763
where:
bonds (distance) C4'-P energy: -119.577
bonds (distance) P-C4' energy: -134.639
flat angles C4'-P-C4' energy: -161.971
flat angles P-C4'-P energy: -110.094
tors. eta vs tors. theta energy: -235.460
Dist. restrs. and SS energy: 3.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2549.671896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.671896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.789971 (E_RNA)
where:
Base-Base interactions energy: -1807.954
where: short stacking energy: -754.626
Base-Backbone interact. energy: -1.313
local terms energy: -750.522457
where:
bonds (distance) C4'-P energy: -118.113
bonds (distance) P-C4' energy: -121.863
flat angles C4'-P-C4' energy: -162.804
flat angles P-C4'-P energy: -108.449
tors. eta vs tors. theta energy: -239.293
Dist. restrs. and SS energy: 10.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2480.225341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.225341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.159636 (E_RNA)
where:
Base-Base interactions energy: -1774.231
where: short stacking energy: -729.365
Base-Backbone interact. energy: -1.778
local terms energy: -719.151388
where:
bonds (distance) C4'-P energy: -129.017
bonds (distance) P-C4' energy: -139.979
flat angles C4'-P-C4' energy: -139.073
flat angles P-C4'-P energy: -99.127
tors. eta vs tors. theta energy: -211.955
Dist. restrs. and SS energy: 14.934 (S_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: -2384.337113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.337113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.532209 (E_RNA)
where:
Base-Base interactions energy: -1696.503
where: short stacking energy: -677.582
Base-Backbone interact. energy: -1.658
local terms energy: -695.371106
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -126.573
flat angles C4'-P-C4' energy: -138.299
flat angles P-C4'-P energy: -103.041
tors. eta vs tors. theta energy: -212.526
Dist. restrs. and SS energy: 9.195 (S_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: 187
Temperature: 1.200000
Total energy: -2305.587063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.587063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.263840 (E_RNA)
where:
Base-Base interactions energy: -1650.961
where: short stacking energy: -649.446
Base-Backbone interact. energy: -1.393
local terms energy: -661.909185
where:
bonds (distance) C4'-P energy: -114.522
bonds (distance) P-C4' energy: -121.273
flat angles C4'-P-C4' energy: -138.918
flat angles P-C4'-P energy: -93.273
tors. eta vs tors. theta energy: -193.923
Dist. restrs. and SS energy: 8.677 (S_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: -2164.234805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.234805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.528057 (E_RNA)
where:
Base-Base interactions energy: -1539.823
where: short stacking energy: -632.340
Base-Backbone interact. energy: 2.335
local terms energy: -638.039673
where:
bonds (distance) C4'-P energy: -105.129
bonds (distance) P-C4' energy: -115.891
flat angles C4'-P-C4' energy: -140.744
flat angles P-C4'-P energy: -84.299
tors. eta vs tors. theta energy: -191.976
Dist. restrs. and SS energy: 11.293 (S_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: 187
Temperature: 1.300000
Total energy: -2145.179388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.179388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.726323 (E_RNA)
where:
Base-Base interactions energy: -1512.101
where: short stacking energy: -613.735
Base-Backbone interact. energy: -1.683
local terms energy: -640.942168
where:
bonds (distance) C4'-P energy: -116.117
bonds (distance) P-C4' energy: -107.137
flat angles C4'-P-C4' energy: -126.004
flat angles P-C4'-P energy: -104.890
tors. eta vs tors. theta energy: -186.794
Dist. restrs. and SS energy: 9.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -2076.311240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.311240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.995369 (E_RNA)
where:
Base-Base interactions energy: -1481.111
where: short stacking energy: -598.630
Base-Backbone interact. energy: 3.426
local terms energy: -611.310318
where:
bonds (distance) C4'-P energy: -92.768
bonds (distance) P-C4' energy: -116.649
flat angles C4'-P-C4' energy: -128.062
flat angles P-C4'-P energy: -80.539
tors. eta vs tors. theta energy: -193.291
Dist. restrs. and SS energy: 12.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2738.297538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.297538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.936667 (E_RNA)
where:
Base-Base interactions energy: -1949.114
where: short stacking energy: -779.551
Base-Backbone interact. energy: 0.385
local terms energy: -800.207972
where:
bonds (distance) C4'-P energy: -149.347
bonds (distance) P-C4' energy: -132.569
flat angles C4'-P-C4' energy: -164.561
flat angles P-C4'-P energy: -110.301
tors. eta vs tors. theta energy: -243.431
Dist. restrs. and SS energy: 10.639 (S_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: 188
Temperature: 0.950000
Total energy: -2686.194888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.194888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.824641 (E_RNA)
where:
Base-Base interactions energy: -1899.602
where: short stacking energy: -772.928
Base-Backbone interact. energy: -1.761
local terms energy: -795.461249
where:
bonds (distance) C4'-P energy: -140.056
bonds (distance) P-C4' energy: -137.528
flat angles C4'-P-C4' energy: -164.181
flat angles P-C4'-P energy: -108.921
tors. eta vs tors. theta energy: -244.776
Dist. restrs. and SS energy: 10.630 (S_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: 188
Temperature: 1.000000
Total energy: -2586.561444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.561444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.090732 (E_RNA)
where:
Base-Base interactions energy: -1844.020
where: short stacking energy: -746.853
Base-Backbone interact. energy: -0.895
local terms energy: -746.175668
where:
bonds (distance) C4'-P energy: -120.855
bonds (distance) P-C4' energy: -121.440
flat angles C4'-P-C4' energy: -154.413
flat angles P-C4'-P energy: -111.835
tors. eta vs tors. theta energy: -237.632
Dist. restrs. and SS energy: 4.529 (S_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: 188
Temperature: 1.050000
Total energy: -2586.251034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.251034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.158251 (E_RNA)
where:
Base-Base interactions energy: -1816.245
where: short stacking energy: -759.724
Base-Backbone interact. energy: 0.087
local terms energy: -775.000365
where:
bonds (distance) C4'-P energy: -134.604
bonds (distance) P-C4' energy: -130.161
flat angles C4'-P-C4' energy: -159.677
flat angles P-C4'-P energy: -108.087
tors. eta vs tors. theta energy: -242.471
Dist. restrs. and SS energy: 4.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2452.446922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.446922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.811632 (E_RNA)
where:
Base-Base interactions energy: -1749.027
where: short stacking energy: -699.091
Base-Backbone interact. energy: -0.260
local terms energy: -708.525152
where:
bonds (distance) C4'-P energy: -116.275
bonds (distance) P-C4' energy: -121.900
flat angles C4'-P-C4' energy: -151.737
flat angles P-C4'-P energy: -105.025
tors. eta vs tors. theta energy: -213.588
Dist. restrs. and SS energy: 5.365 (S_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: -2383.800410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.800410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.006308 (E_RNA)
where:
Base-Base interactions energy: -1700.073
where: short stacking energy: -694.076
Base-Backbone interact. energy: -1.769
local terms energy: -689.164314
where:
bonds (distance) C4'-P energy: -118.769
bonds (distance) P-C4' energy: -131.031
flat angles C4'-P-C4' energy: -130.397
flat angles P-C4'-P energy: -102.065
tors. eta vs tors. theta energy: -206.903
Dist. restrs. and SS energy: 7.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2342.578951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.578951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.062307 (E_RNA)
where:
Base-Base interactions energy: -1673.861
where: short stacking energy: -660.788
Base-Backbone interact. energy: -4.862
local terms energy: -674.339627
where:
bonds (distance) C4'-P energy: -112.543
bonds (distance) P-C4' energy: -108.855
flat angles C4'-P-C4' energy: -147.193
flat angles P-C4'-P energy: -100.514
tors. eta vs tors. theta energy: -205.235
Dist. restrs. and SS energy: 10.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2194.656414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.656414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.355157 (E_RNA)
where:
Base-Base interactions energy: -1567.978
where: short stacking energy: -655.321
Base-Backbone interact. energy: 0.546
local terms energy: -636.922985
where:
bonds (distance) C4'-P energy: -99.465
bonds (distance) P-C4' energy: -115.256
flat angles C4'-P-C4' energy: -150.851
flat angles P-C4'-P energy: -73.824
tors. eta vs tors. theta energy: -197.527
Dist. restrs. and SS energy: 9.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -2168.162272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.162272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.155038 (E_RNA)
where:
Base-Base interactions energy: -1550.176
where: short stacking energy: -618.019
Base-Backbone interact. energy: -2.494
local terms energy: -625.484924
where:
bonds (distance) C4'-P energy: -105.083
bonds (distance) P-C4' energy: -117.891
flat angles C4'-P-C4' energy: -134.595
flat angles P-C4'-P energy: -84.832
tors. eta vs tors. theta energy: -183.084
Dist. restrs. and SS energy: 9.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -2002.048930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.048930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.282051 (E_RNA)
where:
Base-Base interactions energy: -1453.065
where: short stacking energy: -562.457
Base-Backbone interact. energy: 0.689
local terms energy: -557.906194
where:
bonds (distance) C4'-P energy: -104.367
bonds (distance) P-C4' energy: -87.635
flat angles C4'-P-C4' energy: -119.116
flat angles P-C4'-P energy: -80.580
tors. eta vs tors. theta energy: -166.209
Dist. restrs. and SS energy: 8.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2769.590662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.590662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.982624 (E_RNA)
where:
Base-Base interactions energy: -1942.362
where: short stacking energy: -796.479
Base-Backbone interact. energy: 1.169
local terms energy: -839.789985
where:
bonds (distance) C4'-P energy: -153.328
bonds (distance) P-C4' energy: -148.226
flat angles C4'-P-C4' energy: -176.106
flat angles P-C4'-P energy: -113.950
tors. eta vs tors. theta energy: -248.180
Dist. restrs. and SS energy: 11.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2682.599188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.599188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.490008 (E_RNA)
where:
Base-Base interactions energy: -1929.353
where: short stacking energy: -793.284
Base-Backbone interact. energy: -4.296
local terms energy: -757.841278
where:
bonds (distance) C4'-P energy: -122.411
bonds (distance) P-C4' energy: -132.599
flat angles C4'-P-C4' energy: -154.016
flat angles P-C4'-P energy: -117.744
tors. eta vs tors. theta energy: -231.071
Dist. restrs. and SS energy: 8.891 (S_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: 189
Temperature: 1.000000
Total energy: -2621.303123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.303123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.192372 (E_RNA)
where:
Base-Base interactions energy: -1840.615
where: short stacking energy: -753.469
Base-Backbone interact. energy: -1.131
local terms energy: -783.446904
where:
bonds (distance) C4'-P energy: -136.053
bonds (distance) P-C4' energy: -134.713
flat angles C4'-P-C4' energy: -167.532
flat angles P-C4'-P energy: -108.128
tors. eta vs tors. theta energy: -237.021
Dist. restrs. and SS energy: 3.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2537.565741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.565741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.190194 (E_RNA)
where:
Base-Base interactions energy: -1798.463
where: short stacking energy: -741.369
Base-Backbone interact. energy: -1.948
local terms energy: -742.779576
where:
bonds (distance) C4'-P energy: -135.444
bonds (distance) P-C4' energy: -103.383
flat angles C4'-P-C4' energy: -157.281
flat angles P-C4'-P energy: -105.274
tors. eta vs tors. theta energy: -241.397
Dist. restrs. and SS energy: 5.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2478.712639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.712639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.387158 (E_RNA)
where:
Base-Base interactions energy: -1764.527
where: short stacking energy: -725.662
Base-Backbone interact. energy: -1.035
local terms energy: -723.825104
where:
bonds (distance) C4'-P energy: -125.851
bonds (distance) P-C4' energy: -116.754
flat angles C4'-P-C4' energy: -154.222
flat angles P-C4'-P energy: -102.548
tors. eta vs tors. theta energy: -224.451
Dist. restrs. and SS energy: 10.675 (S_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: 189
Temperature: 1.150000
Total energy: -2428.073456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.073456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.091279 (E_RNA)
where:
Base-Base interactions energy: -1746.696
where: short stacking energy: -705.777
Base-Backbone interact. energy: -1.930
local terms energy: -687.464718
where:
bonds (distance) C4'-P energy: -109.512
bonds (distance) P-C4' energy: -121.421
flat angles C4'-P-C4' energy: -148.385
flat angles P-C4'-P energy: -90.692
tors. eta vs tors. theta energy: -217.455
Dist. restrs. and SS energy: 8.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2363.865672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.865672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.650952 (E_RNA)
where:
Base-Base interactions energy: -1725.855
where: short stacking energy: -696.998
Base-Backbone interact. energy: -1.645
local terms energy: -648.151173
where:
bonds (distance) C4'-P energy: -112.904
bonds (distance) P-C4' energy: -109.345
flat angles C4'-P-C4' energy: -145.018
flat angles P-C4'-P energy: -75.352
tors. eta vs tors. theta energy: -205.533
Dist. restrs. and SS energy: 11.785 (S_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: 189
Temperature: 1.250000
Total energy: -2259.505591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.505591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.786768 (E_RNA)
where:
Base-Base interactions energy: -1585.722
where: short stacking energy: -640.678
Base-Backbone interact. energy: -3.172
local terms energy: -690.892333
where:
bonds (distance) C4'-P energy: -132.218
bonds (distance) P-C4' energy: -122.808
flat angles C4'-P-C4' energy: -150.815
flat angles P-C4'-P energy: -91.155
tors. eta vs tors. theta energy: -193.895
Dist. restrs. and SS energy: 20.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -2187.446213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.446213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.700871 (E_RNA)
where:
Base-Base interactions energy: -1584.643
where: short stacking energy: -646.642
Base-Backbone interact. energy: 2.666
local terms energy: -613.723835
where:
bonds (distance) C4'-P energy: -110.082
bonds (distance) P-C4' energy: -95.001
flat angles C4'-P-C4' energy: -139.933
flat angles P-C4'-P energy: -78.667
tors. eta vs tors. theta energy: -190.041
Dist. restrs. and SS energy: 8.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -2032.460012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.460012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.069864 (E_RNA)
where:
Base-Base interactions energy: -1473.023
where: short stacking energy: -569.715
Base-Backbone interact. energy: -2.575
local terms energy: -562.471933
where:
bonds (distance) C4'-P energy: -106.200
bonds (distance) P-C4' energy: -98.988
flat angles C4'-P-C4' energy: -125.935
flat angles P-C4'-P energy: -75.362
tors. eta vs tors. theta energy: -155.987
Dist. restrs. and SS energy: 5.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2739.215850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.215850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.496001 (E_RNA)
where:
Base-Base interactions energy: -1912.524
where: short stacking energy: -793.824
Base-Backbone interact. energy: -1.210
local terms energy: -833.762404
where:
bonds (distance) C4'-P energy: -147.613
bonds (distance) P-C4' energy: -152.098
flat angles C4'-P-C4' energy: -171.710
flat angles P-C4'-P energy: -120.512
tors. eta vs tors. theta energy: -241.830
Dist. restrs. and SS energy: 8.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2698.585463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.585463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.260595 (E_RNA)
where:
Base-Base interactions energy: -1917.377
where: short stacking energy: -783.248
Base-Backbone interact. energy: -1.790
local terms energy: -791.093815
where:
bonds (distance) C4'-P energy: -128.976
bonds (distance) P-C4' energy: -139.583
flat angles C4'-P-C4' energy: -168.981
flat angles P-C4'-P energy: -120.593
tors. eta vs tors. theta energy: -232.961
Dist. restrs. and SS energy: 11.675 (S_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: 190
Temperature: 1.000000
Total energy: -2614.017272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.017272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.348926 (E_RNA)
where:
Base-Base interactions energy: -1871.677
where: short stacking energy: -759.866
Base-Backbone interact. energy: -1.732
local terms energy: -743.940337
where:
bonds (distance) C4'-P energy: -115.817
bonds (distance) P-C4' energy: -124.372
flat angles C4'-P-C4' energy: -152.763
flat angles P-C4'-P energy: -122.976
tors. eta vs tors. theta energy: -228.013
Dist. restrs. and SS energy: 3.332 (S_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: 190
Temperature: 1.050000
Total energy: -2527.910239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.910239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.194259 (E_RNA)
where:
Base-Base interactions energy: -1780.653
where: short stacking energy: -740.303
Base-Backbone interact. energy: -2.407
local terms energy: -753.134178
where:
bonds (distance) C4'-P energy: -114.273
bonds (distance) P-C4' energy: -142.103
flat angles C4'-P-C4' energy: -163.125
flat angles P-C4'-P energy: -101.766
tors. eta vs tors. theta energy: -231.867
Dist. restrs. and SS energy: 8.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2501.563360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.563360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.371974 (E_RNA)
where:
Base-Base interactions energy: -1776.416
where: short stacking energy: -739.742
Base-Backbone interact. energy: -1.691
local terms energy: -732.264774
where:
bonds (distance) C4'-P energy: -123.263
bonds (distance) P-C4' energy: -121.350
flat angles C4'-P-C4' energy: -167.031
flat angles P-C4'-P energy: -93.290
tors. eta vs tors. theta energy: -227.331
Dist. restrs. and SS energy: 8.809 (S_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: 190
Temperature: 1.150000
Total energy: -2459.827049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.827049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.138874 (E_RNA)
where:
Base-Base interactions energy: -1763.807
where: short stacking energy: -699.750
Base-Backbone interact. energy: -3.720
local terms energy: -698.612325
where:
bonds (distance) C4'-P energy: -124.806
bonds (distance) P-C4' energy: -114.552
flat angles C4'-P-C4' energy: -142.572
flat angles P-C4'-P energy: -96.891
tors. eta vs tors. theta energy: -219.791
Dist. restrs. and SS energy: 6.312 (S_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: 190
Temperature: 1.200000
Total energy: -2281.556855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.556855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.141180 (E_RNA)
where:
Base-Base interactions energy: -1637.230
where: short stacking energy: -671.555
Base-Backbone interact. energy: 3.144
local terms energy: -663.056149
where:
bonds (distance) C4'-P energy: -114.287
bonds (distance) P-C4' energy: -118.014
flat angles C4'-P-C4' energy: -134.468
flat angles P-C4'-P energy: -98.600
tors. eta vs tors. theta energy: -197.687
Dist. restrs. and SS energy: 15.584 (S_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: 190
Temperature: 1.250000
Total energy: -2229.685511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.685511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.589526 (E_RNA)
where:
Base-Base interactions energy: -1603.219
where: short stacking energy: -636.649
Base-Backbone interact. energy: 2.892
local terms energy: -647.262699
where:
bonds (distance) C4'-P energy: -116.975
bonds (distance) P-C4' energy: -109.528
flat angles C4'-P-C4' energy: -139.836
flat angles P-C4'-P energy: -84.964
tors. eta vs tors. theta energy: -195.960
Dist. restrs. and SS energy: 17.904 (S_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: 190
Temperature: 1.300000
Total energy: -2169.854312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.854312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.468115 (E_RNA)
where:
Base-Base interactions energy: -1583.756
where: short stacking energy: -638.366
Base-Backbone interact. energy: 0.517
local terms energy: -595.229118
where:
bonds (distance) C4'-P energy: -114.153
bonds (distance) P-C4' energy: -96.691
flat angles C4'-P-C4' energy: -115.990
flat angles P-C4'-P energy: -69.202
tors. eta vs tors. theta energy: -199.193
Dist. restrs. and SS energy: 8.614 (S_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: 190
Temperature: 1.350000
Total energy: -2051.382553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.382553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.525170 (E_RNA)
where:
Base-Base interactions energy: -1491.901
where: short stacking energy: -589.449
Base-Backbone interact. energy: -1.586
local terms energy: -568.038623
where:
bonds (distance) C4'-P energy: -90.178
bonds (distance) P-C4' energy: -95.674
flat angles C4'-P-C4' energy: -126.527
flat angles P-C4'-P energy: -72.755
tors. eta vs tors. theta energy: -182.904
Dist. restrs. and SS energy: 10.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2717.231025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.231025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.768527 (E_RNA)
where:
Base-Base interactions energy: -1922.910
where: short stacking energy: -791.799
Base-Backbone interact. energy: -1.715
local terms energy: -804.143534
where:
bonds (distance) C4'-P energy: -140.493
bonds (distance) P-C4' energy: -139.274
flat angles C4'-P-C4' energy: -166.072
flat angles P-C4'-P energy: -114.404
tors. eta vs tors. theta energy: -243.900
Dist. restrs. and SS energy: 11.538 (S_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: 191
Temperature: 0.950000
Total energy: -2696.775015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.775015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.750052 (E_RNA)
where:
Base-Base interactions energy: -1906.123
where: short stacking energy: -784.596
Base-Backbone interact. energy: -2.146
local terms energy: -801.481144
where:
bonds (distance) C4'-P energy: -139.911
bonds (distance) P-C4' energy: -140.927
flat angles C4'-P-C4' energy: -173.066
flat angles P-C4'-P energy: -99.144
tors. eta vs tors. theta energy: -248.433
Dist. restrs. and SS energy: 12.975 (S_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: 191
Temperature: 1.000000
Total energy: -2620.703300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.703300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.430924 (E_RNA)
where:
Base-Base interactions energy: -1857.312
where: short stacking energy: -774.110
Base-Backbone interact. energy: 1.189
local terms energy: -767.308129
where:
bonds (distance) C4'-P energy: -117.355
bonds (distance) P-C4' energy: -152.161
flat angles C4'-P-C4' energy: -156.441
flat angles P-C4'-P energy: -105.037
tors. eta vs tors. theta energy: -236.315
Dist. restrs. and SS energy: 2.728 (S_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: 191
Temperature: 1.050000
Total energy: -2529.632897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.632897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.958520 (E_RNA)
where:
Base-Base interactions energy: -1816.880
where: short stacking energy: -741.802
Base-Backbone interact. energy: 0.220
local terms energy: -721.298836
where:
bonds (distance) C4'-P energy: -123.843
bonds (distance) P-C4' energy: -128.367
flat angles C4'-P-C4' energy: -151.071
flat angles P-C4'-P energy: -81.970
tors. eta vs tors. theta energy: -236.048
Dist. restrs. and SS energy: 8.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2475.148778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.148778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.209623 (E_RNA)
where:
Base-Base interactions energy: -1785.653
where: short stacking energy: -733.852
Base-Backbone interact. energy: -0.801
local terms energy: -697.755380
where:
bonds (distance) C4'-P energy: -115.092
bonds (distance) P-C4' energy: -113.804
flat angles C4'-P-C4' energy: -137.473
flat angles P-C4'-P energy: -102.340
tors. eta vs tors. theta energy: -229.046
Dist. restrs. and SS energy: 9.061 (S_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: 191
Temperature: 1.150000
Total energy: -2372.916766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.916766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.813185 (E_RNA)
where:
Base-Base interactions energy: -1693.364
where: short stacking energy: -687.276
Base-Backbone interact. energy: -1.231
local terms energy: -688.218322
where:
bonds (distance) C4'-P energy: -117.615
bonds (distance) P-C4' energy: -108.926
flat angles C4'-P-C4' energy: -150.024
flat angles P-C4'-P energy: -105.478
tors. eta vs tors. theta energy: -206.175
Dist. restrs. and SS energy: 9.896 (S_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: 191
Temperature: 1.200000
Total energy: -2291.395373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.395373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.029788 (E_RNA)
where:
Base-Base interactions energy: -1636.858
where: short stacking energy: -660.468
Base-Backbone interact. energy: 2.518
local terms energy: -673.689186
where:
bonds (distance) C4'-P energy: -132.002
bonds (distance) P-C4' energy: -111.479
flat angles C4'-P-C4' energy: -132.968
flat angles P-C4'-P energy: -93.578
tors. eta vs tors. theta energy: -203.662
Dist. restrs. and SS energy: 16.634 (S_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: 191
Temperature: 1.250000
Total energy: -2219.791222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.791222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.868081 (E_RNA)
where:
Base-Base interactions energy: -1577.208
where: short stacking energy: -625.685
Base-Backbone interact. energy: -1.074
local terms energy: -654.585917
where:
bonds (distance) C4'-P energy: -96.897
bonds (distance) P-C4' energy: -113.703
flat angles C4'-P-C4' energy: -147.571
flat angles P-C4'-P energy: -98.138
tors. eta vs tors. theta energy: -198.278
Dist. restrs. and SS energy: 13.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -2194.338187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.338187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.028488 (E_RNA)
where:
Base-Base interactions energy: -1582.678
where: short stacking energy: -648.527
Base-Backbone interact. energy: 0.559
local terms energy: -629.909972
where:
bonds (distance) C4'-P energy: -85.360
bonds (distance) P-C4' energy: -116.469
flat angles C4'-P-C4' energy: -142.940
flat angles P-C4'-P energy: -93.355
tors. eta vs tors. theta energy: -191.786
Dist. restrs. and SS energy: 17.690 (S_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: 191
Temperature: 1.350000
Total energy: -2090.828661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.828661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.812226 (E_RNA)
where:
Base-Base interactions energy: -1467.021
where: short stacking energy: -572.467
Base-Backbone interact. energy: -2.227
local terms energy: -637.564327
where:
bonds (distance) C4'-P energy: -145.284
bonds (distance) P-C4' energy: -102.092
flat angles C4'-P-C4' energy: -134.491
flat angles P-C4'-P energy: -74.637
tors. eta vs tors. theta energy: -181.060
Dist. restrs. and SS energy: 15.984 (S_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: 192
Temperature: 0.900000
Total energy: -2731.531597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.531597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.874021 (E_RNA)
where:
Base-Base interactions energy: -1932.078
where: short stacking energy: -780.694
Base-Backbone interact. energy: -3.116
local terms energy: -803.680238
where:
bonds (distance) C4'-P energy: -147.346
bonds (distance) P-C4' energy: -141.439
flat angles C4'-P-C4' energy: -164.438
flat angles P-C4'-P energy: -105.859
tors. eta vs tors. theta energy: -244.599
Dist. restrs. and SS energy: 7.342 (S_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: 192
Temperature: 0.950000
Total energy: -2700.533982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.533982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.462512 (E_RNA)
where:
Base-Base interactions energy: -1908.081
where: short stacking energy: -800.733
Base-Backbone interact. energy: -0.117
local terms energy: -802.264222
where:
bonds (distance) C4'-P energy: -137.878
bonds (distance) P-C4' energy: -145.152
flat angles C4'-P-C4' energy: -161.901
flat angles P-C4'-P energy: -106.999
tors. eta vs tors. theta energy: -250.335
Dist. restrs. and SS energy: 9.929 (S_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: 192
Temperature: 1.000000
Total energy: -2594.071812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.071812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.539884 (E_RNA)
where:
Base-Base interactions energy: -1842.475
where: short stacking energy: -767.622
Base-Backbone interact. energy: -0.518
local terms energy: -756.546774
where:
bonds (distance) C4'-P energy: -141.203
bonds (distance) P-C4' energy: -130.354
flat angles C4'-P-C4' energy: -144.286
flat angles P-C4'-P energy: -113.081
tors. eta vs tors. theta energy: -227.623
Dist. restrs. and SS energy: 5.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2560.203394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.203394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.095697 (E_RNA)
where:
Base-Base interactions energy: -1809.264
where: short stacking energy: -729.521
Base-Backbone interact. energy: -3.121
local terms energy: -752.710678
where:
bonds (distance) C4'-P energy: -136.247
bonds (distance) P-C4' energy: -124.634
flat angles C4'-P-C4' energy: -149.436
flat angles P-C4'-P energy: -109.475
tors. eta vs tors. theta energy: -232.918
Dist. restrs. and SS energy: 4.892 (S_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: -2488.050272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.050272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.436945 (E_RNA)
where:
Base-Base interactions energy: -1775.306
where: short stacking energy: -729.904
Base-Backbone interact. energy: -0.242
local terms energy: -723.888471
where:
bonds (distance) C4'-P energy: -113.565
bonds (distance) P-C4' energy: -129.420
flat angles C4'-P-C4' energy: -148.509
flat angles P-C4'-P energy: -105.271
tors. eta vs tors. theta energy: -227.124
Dist. restrs. and SS energy: 11.387 (S_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: 192
Temperature: 1.150000
Total energy: -2399.597853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.597853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.934160 (E_RNA)
where:
Base-Base interactions energy: -1673.409
where: short stacking energy: -690.978
Base-Backbone interact. energy: 0.261
local terms energy: -735.786870
where:
bonds (distance) C4'-P energy: -127.190
bonds (distance) P-C4' energy: -140.770
flat angles C4'-P-C4' energy: -145.472
flat angles P-C4'-P energy: -95.461
tors. eta vs tors. theta energy: -226.894
Dist. restrs. and SS energy: 9.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2309.958946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.958946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.588867 (E_RNA)
where:
Base-Base interactions energy: -1661.073
where: short stacking energy: -669.071
Base-Backbone interact. energy: -0.075
local terms energy: -659.440238
where:
bonds (distance) C4'-P energy: -86.570
bonds (distance) P-C4' energy: -120.241
flat angles C4'-P-C4' energy: -158.064
flat angles P-C4'-P energy: -87.824
tors. eta vs tors. theta energy: -206.741
Dist. restrs. and SS energy: 10.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2264.039647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.039647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.789122 (E_RNA)
where:
Base-Base interactions energy: -1650.904
where: short stacking energy: -658.475
Base-Backbone interact. energy: 2.341
local terms energy: -631.226383
where:
bonds (distance) C4'-P energy: -105.143
bonds (distance) P-C4' energy: -95.407
flat angles C4'-P-C4' energy: -132.143
flat angles P-C4'-P energy: -92.569
tors. eta vs tors. theta energy: -205.965
Dist. restrs. and SS energy: 15.749 (S_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: 192
Temperature: 1.300000
Total energy: -2205.261776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.261776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.306852 (E_RNA)
where:
Base-Base interactions energy: -1615.257
where: short stacking energy: -633.320
Base-Backbone interact. energy: -1.962
local terms energy: -604.087764
where:
bonds (distance) C4'-P energy: -93.867
bonds (distance) P-C4' energy: -94.737
flat angles C4'-P-C4' energy: -137.626
flat angles P-C4'-P energy: -74.039
tors. eta vs tors. theta energy: -203.819
Dist. restrs. and SS energy: 16.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -2098.204158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.204158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.560892 (E_RNA)
where:
Base-Base interactions energy: -1473.631
where: short stacking energy: -566.144
Base-Backbone interact. energy: -1.400
local terms energy: -633.530330
where:
bonds (distance) C4'-P energy: -111.184
bonds (distance) P-C4' energy: -115.429
flat angles C4'-P-C4' energy: -133.665
flat angles P-C4'-P energy: -83.598
tors. eta vs tors. theta energy: -189.654
Dist. restrs. and SS energy: 10.357 (S_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: 193
Temperature: 0.900000
Total energy: -2741.331368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.331368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.233693 (E_RNA)
where:
Base-Base interactions energy: -1957.905
where: short stacking energy: -805.897
Base-Backbone interact. energy: -3.664
local terms energy: -788.665382
where:
bonds (distance) C4'-P energy: -128.650
bonds (distance) P-C4' energy: -143.295
flat angles C4'-P-C4' energy: -157.185
flat angles P-C4'-P energy: -118.396
tors. eta vs tors. theta energy: -241.139
Dist. restrs. and SS energy: 8.902 (S_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: 193
Temperature: 0.950000
Total energy: -2720.602991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.602991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.319266 (E_RNA)
where:
Base-Base interactions energy: -1924.940
where: short stacking energy: -798.180
Base-Backbone interact. energy: 0.429
local terms energy: -806.808511
where:
bonds (distance) C4'-P energy: -133.892
bonds (distance) P-C4' energy: -136.305
flat angles C4'-P-C4' energy: -167.838
flat angles P-C4'-P energy: -120.183
tors. eta vs tors. theta energy: -248.591
Dist. restrs. and SS energy: 10.716 (S_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: 193
Temperature: 1.000000
Total energy: -2634.162213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.162213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.576438 (E_RNA)
where:
Base-Base interactions energy: -1878.236
where: short stacking energy: -789.978
Base-Backbone interact. energy: -2.254
local terms energy: -758.086262
where:
bonds (distance) C4'-P energy: -119.862
bonds (distance) P-C4' energy: -125.389
flat angles C4'-P-C4' energy: -166.024
flat angles P-C4'-P energy: -100.992
tors. eta vs tors. theta energy: -245.819
Dist. restrs. and SS energy: 4.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2582.582925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.582925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.132394 (E_RNA)
where:
Base-Base interactions energy: -1812.112
where: short stacking energy: -742.231
Base-Backbone interact. energy: -1.553
local terms energy: -779.467402
where:
bonds (distance) C4'-P energy: -152.715
bonds (distance) P-C4' energy: -133.329
flat angles C4'-P-C4' energy: -157.763
flat angles P-C4'-P energy: -101.306
tors. eta vs tors. theta energy: -234.354
Dist. restrs. and SS energy: 10.549 (S_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: -2470.808313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.808313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.390992 (E_RNA)
where:
Base-Base interactions energy: -1770.125
where: short stacking energy: -717.077
Base-Backbone interact. energy: -1.211
local terms energy: -710.054625
where:
bonds (distance) C4'-P energy: -136.853
bonds (distance) P-C4' energy: -118.150
flat angles C4'-P-C4' energy: -136.042
flat angles P-C4'-P energy: -100.713
tors. eta vs tors. theta energy: -218.296
Dist. restrs. and SS energy: 10.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2404.886584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.886584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.127947 (E_RNA)
where:
Base-Base interactions energy: -1705.629
where: short stacking energy: -686.313
Base-Backbone interact. energy: 0.090
local terms energy: -707.589479
where:
bonds (distance) C4'-P energy: -125.471
bonds (distance) P-C4' energy: -109.488
flat angles C4'-P-C4' energy: -145.390
flat angles P-C4'-P energy: -109.912
tors. eta vs tors. theta energy: -217.329
Dist. restrs. and SS energy: 8.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2320.405384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.405384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.896276 (E_RNA)
where:
Base-Base interactions energy: -1643.177
where: short stacking energy: -682.307
Base-Backbone interact. energy: 0.224
local terms energy: -695.943464
where:
bonds (distance) C4'-P energy: -122.036
bonds (distance) P-C4' energy: -122.916
flat angles C4'-P-C4' energy: -137.189
flat angles P-C4'-P energy: -105.453
tors. eta vs tors. theta energy: -208.349
Dist. restrs. and SS energy: 18.491 (S_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: 193
Temperature: 1.250000
Total energy: -2257.200351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.200351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.322739 (E_RNA)
where:
Base-Base interactions energy: -1595.796
where: short stacking energy: -647.867
Base-Backbone interact. energy: -2.407
local terms energy: -664.119261
where:
bonds (distance) C4'-P energy: -117.585
bonds (distance) P-C4' energy: -122.714
flat angles C4'-P-C4' energy: -140.461
flat angles P-C4'-P energy: -83.840
tors. eta vs tors. theta energy: -199.520
Dist. restrs. and SS energy: 5.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -2148.010689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.010689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.178228 (E_RNA)
where:
Base-Base interactions energy: -1551.211
where: short stacking energy: -625.251
Base-Backbone interact. energy: 6.797
local terms energy: -620.764056
where:
bonds (distance) C4'-P energy: -96.291
bonds (distance) P-C4' energy: -107.995
flat angles C4'-P-C4' energy: -130.973
flat angles P-C4'-P energy: -94.633
tors. eta vs tors. theta energy: -190.872
Dist. restrs. and SS energy: 17.168 (S_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: 193
Temperature: 1.350000
Total energy: -2102.584366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.584366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.396177 (E_RNA)
where:
Base-Base interactions energy: -1504.988
where: short stacking energy: -611.784
Base-Backbone interact. energy: 0.770
local terms energy: -616.177475
where:
bonds (distance) C4'-P energy: -121.798
bonds (distance) P-C4' energy: -105.457
flat angles C4'-P-C4' energy: -116.702
flat angles P-C4'-P energy: -84.461
tors. eta vs tors. theta energy: -187.758
Dist. restrs. and SS energy: 17.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2726.744528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.744528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.191782 (E_RNA)
where:
Base-Base interactions energy: -1918.484
where: short stacking energy: -798.942
Base-Backbone interact. energy: -2.076
local terms energy: -815.631631
where:
bonds (distance) C4'-P energy: -147.844
bonds (distance) P-C4' energy: -138.583
flat angles C4'-P-C4' energy: -166.961
flat angles P-C4'-P energy: -104.226
tors. eta vs tors. theta energy: -258.018
Dist. restrs. and SS energy: 9.447 (S_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: 194
Temperature: 0.950000
Total energy: -2686.410525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.410525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.580167 (E_RNA)
where:
Base-Base interactions energy: -1902.833
where: short stacking energy: -787.513
Base-Backbone interact. energy: -4.171
local terms energy: -790.576236
where:
bonds (distance) C4'-P energy: -133.528
bonds (distance) P-C4' energy: -134.006
flat angles C4'-P-C4' energy: -173.513
flat angles P-C4'-P energy: -106.108
tors. eta vs tors. theta energy: -243.421
Dist. restrs. and SS energy: 11.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2601.393789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.393789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.812273 (E_RNA)
where:
Base-Base interactions energy: -1837.703
where: short stacking energy: -748.260
Base-Backbone interact. energy: -1.969
local terms energy: -767.140475
where:
bonds (distance) C4'-P energy: -129.145
bonds (distance) P-C4' energy: -128.848
flat angles C4'-P-C4' energy: -166.005
flat angles P-C4'-P energy: -111.441
tors. eta vs tors. theta energy: -231.702
Dist. restrs. and SS energy: 5.418 (S_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: 194
Temperature: 1.050000
Total energy: -2550.090640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.090640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.603563 (E_RNA)
where:
Base-Base interactions energy: -1819.717
where: short stacking energy: -745.031
Base-Backbone interact. energy: -0.590
local terms energy: -743.296450
where:
bonds (distance) C4'-P energy: -129.612
bonds (distance) P-C4' energy: -122.447
flat angles C4'-P-C4' energy: -154.505
flat angles P-C4'-P energy: -103.828
tors. eta vs tors. theta energy: -232.904
Dist. restrs. and SS energy: 13.513 (S_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: -2475.369744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.369744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.241267 (E_RNA)
where:
Base-Base interactions energy: -1762.611
where: short stacking energy: -698.851
Base-Backbone interact. energy: -3.374
local terms energy: -723.256581
where:
bonds (distance) C4'-P energy: -121.695
bonds (distance) P-C4' energy: -128.504
flat angles C4'-P-C4' energy: -154.122
flat angles P-C4'-P energy: -102.445
tors. eta vs tors. theta energy: -216.491
Dist. restrs. and SS energy: 13.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2460.580539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.580539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.795544 (E_RNA)
where:
Base-Base interactions energy: -1731.776
where: short stacking energy: -692.564
Base-Backbone interact. energy: -0.049
local terms energy: -738.970897
where:
bonds (distance) C4'-P energy: -140.229
bonds (distance) P-C4' energy: -124.516
flat angles C4'-P-C4' energy: -152.672
flat angles P-C4'-P energy: -94.728
tors. eta vs tors. theta energy: -226.827
Dist. restrs. and SS energy: 10.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2329.471621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.471621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.722943 (E_RNA)
where:
Base-Base interactions energy: -1637.355
where: short stacking energy: -672.210
Base-Backbone interact. energy: -3.576
local terms energy: -696.792265
where:
bonds (distance) C4'-P energy: -115.916
bonds (distance) P-C4' energy: -115.586
flat angles C4'-P-C4' energy: -150.937
flat angles P-C4'-P energy: -96.646
tors. eta vs tors. theta energy: -217.707
Dist. restrs. and SS energy: 8.251 (S_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: 194
Temperature: 1.250000
Total energy: -2259.250816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.250816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.365227 (E_RNA)
where:
Base-Base interactions energy: -1597.037
where: short stacking energy: -660.183
Base-Backbone interact. energy: -0.300
local terms energy: -672.027866
where:
bonds (distance) C4'-P energy: -115.944
bonds (distance) P-C4' energy: -130.595
flat angles C4'-P-C4' energy: -136.754
flat angles P-C4'-P energy: -77.497
tors. eta vs tors. theta energy: -211.238
Dist. restrs. and SS energy: 10.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -2116.381760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.381760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.665587 (E_RNA)
where:
Base-Base interactions energy: -1498.873
where: short stacking energy: -601.302
Base-Backbone interact. energy: -5.677
local terms energy: -639.114808
where:
bonds (distance) C4'-P energy: -109.950
bonds (distance) P-C4' energy: -117.317
flat angles C4'-P-C4' energy: -134.657
flat angles P-C4'-P energy: -91.578
tors. eta vs tors. theta energy: -185.612
Dist. restrs. and SS energy: 27.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -2072.667266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.667266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.392766 (E_RNA)
where:
Base-Base interactions energy: -1484.765
where: short stacking energy: -591.502
Base-Backbone interact. energy: -2.730
local terms energy: -600.897862
where:
bonds (distance) C4'-P energy: -113.517
bonds (distance) P-C4' energy: -102.988
flat angles C4'-P-C4' energy: -132.755
flat angles P-C4'-P energy: -66.481
tors. eta vs tors. theta energy: -185.157
Dist. restrs. and SS energy: 15.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2711.877788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.877788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.095162 (E_RNA)
where:
Base-Base interactions energy: -1930.936
where: short stacking energy: -773.147
Base-Backbone interact. energy: -2.007
local terms energy: -791.152486
where:
bonds (distance) C4'-P energy: -128.548
bonds (distance) P-C4' energy: -142.079
flat angles C4'-P-C4' energy: -165.237
flat angles P-C4'-P energy: -115.905
tors. eta vs tors. theta energy: -239.384
Dist. restrs. and SS energy: 12.217 (S_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: 195
Temperature: 0.950000
Total energy: -2669.958070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.958070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.174218 (E_RNA)
where:
Base-Base interactions energy: -1903.092
where: short stacking energy: -763.433
Base-Backbone interact. energy: -2.407
local terms energy: -772.675522
where:
bonds (distance) C4'-P energy: -129.330
bonds (distance) P-C4' energy: -127.830
flat angles C4'-P-C4' energy: -160.870
flat angles P-C4'-P energy: -115.383
tors. eta vs tors. theta energy: -239.262
Dist. restrs. and SS energy: 8.216 (S_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: 195
Temperature: 1.000000
Total energy: -2612.795239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.795239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.070250 (E_RNA)
where:
Base-Base interactions energy: -1864.240
where: short stacking energy: -778.076
Base-Backbone interact. energy: -2.576
local terms energy: -749.254331
where:
bonds (distance) C4'-P energy: -117.853
bonds (distance) P-C4' energy: -130.954
flat angles C4'-P-C4' energy: -159.797
flat angles P-C4'-P energy: -101.447
tors. eta vs tors. theta energy: -239.204
Dist. restrs. and SS energy: 3.275 (S_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: 195
Temperature: 1.050000
Total energy: -2532.765390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.765390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.159521 (E_RNA)
where:
Base-Base interactions energy: -1777.409
where: short stacking energy: -732.751
Base-Backbone interact. energy: -1.665
local terms energy: -770.085773
where:
bonds (distance) C4'-P energy: -126.805
bonds (distance) P-C4' energy: -138.958
flat angles C4'-P-C4' energy: -163.471
flat angles P-C4'-P energy: -106.224
tors. eta vs tors. theta energy: -234.628
Dist. restrs. and SS energy: 16.394 (S_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: 195
Temperature: 1.100000
Total energy: -2433.265288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.265288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.622221 (E_RNA)
where:
Base-Base interactions energy: -1712.958
where: short stacking energy: -698.724
Base-Backbone interact. energy: -1.332
local terms energy: -726.332485
where:
bonds (distance) C4'-P energy: -139.957
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -152.392
flat angles P-C4'-P energy: -101.921
tors. eta vs tors. theta energy: -216.197
Dist. restrs. and SS energy: 7.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2424.161398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.161398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.780853 (E_RNA)
where:
Base-Base interactions energy: -1713.336
where: short stacking energy: -707.410
Base-Backbone interact. energy: -3.481
local terms energy: -712.963461
where:
bonds (distance) C4'-P energy: -127.408
bonds (distance) P-C4' energy: -113.743
flat angles C4'-P-C4' energy: -158.496
flat angles P-C4'-P energy: -88.455
tors. eta vs tors. theta energy: -224.861
Dist. restrs. and SS energy: 5.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2325.801302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.801302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.521204 (E_RNA)
where:
Base-Base interactions energy: -1678.199
where: short stacking energy: -658.871
Base-Backbone interact. energy: -4.639
local terms energy: -659.683316
where:
bonds (distance) C4'-P energy: -103.359
bonds (distance) P-C4' energy: -118.051
flat angles C4'-P-C4' energy: -144.686
flat angles P-C4'-P energy: -90.196
tors. eta vs tors. theta energy: -203.392
Dist. restrs. and SS energy: 16.720 (S_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: 195
Temperature: 1.250000
Total energy: -2238.166482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.166482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.240449 (E_RNA)
where:
Base-Base interactions energy: -1555.860
where: short stacking energy: -619.977
Base-Backbone interact. energy: -3.676
local terms energy: -691.704894
where:
bonds (distance) C4'-P energy: -125.138
bonds (distance) P-C4' energy: -143.850
flat angles C4'-P-C4' energy: -134.221
flat angles P-C4'-P energy: -91.926
tors. eta vs tors. theta energy: -196.570
Dist. restrs. and SS energy: 13.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -2179.882366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.882366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.933715 (E_RNA)
where:
Base-Base interactions energy: -1550.589
where: short stacking energy: -620.147
Base-Backbone interact. energy: -0.168
local terms energy: -653.176410
where:
bonds (distance) C4'-P energy: -113.526
bonds (distance) P-C4' energy: -96.485
flat angles C4'-P-C4' energy: -148.170
flat angles P-C4'-P energy: -94.990
tors. eta vs tors. theta energy: -200.007
Dist. restrs. and SS energy: 24.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -2017.035413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.035413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.077356 (E_RNA)
where:
Base-Base interactions energy: -1448.080
where: short stacking energy: -570.935
Base-Backbone interact. energy: -1.841
local terms energy: -576.156108
where:
bonds (distance) C4'-P energy: -93.785
bonds (distance) P-C4' energy: -101.583
flat angles C4'-P-C4' energy: -126.801
flat angles P-C4'-P energy: -82.153
tors. eta vs tors. theta energy: -171.834
Dist. restrs. and SS energy: 9.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2742.130025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.130025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.702378 (E_RNA)
where:
Base-Base interactions energy: -1932.197
where: short stacking energy: -809.787
Base-Backbone interact. energy: -2.617
local terms energy: -818.888135
where:
bonds (distance) C4'-P energy: -138.835
bonds (distance) P-C4' energy: -142.743
flat angles C4'-P-C4' energy: -171.683
flat angles P-C4'-P energy: -118.143
tors. eta vs tors. theta energy: -247.483
Dist. restrs. and SS energy: 11.572 (S_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: 196
Temperature: 0.950000
Total energy: -2655.099010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.099010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.959721 (E_RNA)
where:
Base-Base interactions energy: -1884.819
where: short stacking energy: -771.900
Base-Backbone interact. energy: -2.433
local terms energy: -780.707599
where:
bonds (distance) C4'-P energy: -140.165
bonds (distance) P-C4' energy: -137.412
flat angles C4'-P-C4' energy: -155.520
flat angles P-C4'-P energy: -108.498
tors. eta vs tors. theta energy: -239.112
Dist. restrs. and SS energy: 12.861 (S_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: 196
Temperature: 1.000000
Total energy: -2612.392723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.392723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.811974 (E_RNA)
where:
Base-Base interactions energy: -1820.372
where: short stacking energy: -781.419
Base-Backbone interact. energy: -0.242
local terms energy: -794.198039
where:
bonds (distance) C4'-P energy: -141.447
bonds (distance) P-C4' energy: -136.462
flat angles C4'-P-C4' energy: -162.957
flat angles P-C4'-P energy: -110.239
tors. eta vs tors. theta energy: -243.094
Dist. restrs. and SS energy: 2.419 (S_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: 196
Temperature: 1.050000
Total energy: -2527.599113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.599113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.151091 (E_RNA)
where:
Base-Base interactions energy: -1798.594
where: short stacking energy: -747.891
Base-Backbone interact. energy: -3.706
local terms energy: -739.850807
where:
bonds (distance) C4'-P energy: -137.980
bonds (distance) P-C4' energy: -109.961
flat angles C4'-P-C4' energy: -149.998
flat angles P-C4'-P energy: -103.689
tors. eta vs tors. theta energy: -238.222
Dist. restrs. and SS energy: 14.552 (S_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: 196
Temperature: 1.100000
Total energy: -2459.235144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.235144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.896032 (E_RNA)
where:
Base-Base interactions energy: -1757.872
where: short stacking energy: -715.130
Base-Backbone interact. energy: -0.131
local terms energy: -703.893807
where:
bonds (distance) C4'-P energy: -123.593
bonds (distance) P-C4' energy: -123.319
flat angles C4'-P-C4' energy: -142.949
flat angles P-C4'-P energy: -98.169
tors. eta vs tors. theta energy: -215.863
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2370.067317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.067317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.164102 (E_RNA)
where:
Base-Base interactions energy: -1682.596
where: short stacking energy: -678.646
Base-Backbone interact. energy: -2.854
local terms energy: -688.714026
where:
bonds (distance) C4'-P energy: -141.770
bonds (distance) P-C4' energy: -99.012
flat angles C4'-P-C4' energy: -146.006
flat angles P-C4'-P energy: -92.207
tors. eta vs tors. theta energy: -209.719
Dist. restrs. and SS energy: 4.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2316.881275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.881275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.177965 (E_RNA)
where:
Base-Base interactions energy: -1660.182
where: short stacking energy: -659.515
Base-Backbone interact. energy: -0.136
local terms energy: -668.859712
where:
bonds (distance) C4'-P energy: -110.937
bonds (distance) P-C4' energy: -123.128
flat angles C4'-P-C4' energy: -150.740
flat angles P-C4'-P energy: -79.062
tors. eta vs tors. theta energy: -204.993
Dist. restrs. and SS energy: 12.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2250.705980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.705980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.447280 (E_RNA)
where:
Base-Base interactions energy: -1617.172
where: short stacking energy: -657.966
Base-Backbone interact. energy: -2.300
local terms energy: -642.975640
where:
bonds (distance) C4'-P energy: -102.256
bonds (distance) P-C4' energy: -117.133
flat angles C4'-P-C4' energy: -135.488
flat angles P-C4'-P energy: -83.822
tors. eta vs tors. theta energy: -204.276
Dist. restrs. and SS energy: 11.741 (S_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: 196
Temperature: 1.300000
Total energy: -2218.790933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.790933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.707923 (E_RNA)
where:
Base-Base interactions energy: -1598.651
where: short stacking energy: -634.880
Base-Backbone interact. energy: -1.025
local terms energy: -634.031929
where:
bonds (distance) C4'-P energy: -97.100
bonds (distance) P-C4' energy: -103.340
flat angles C4'-P-C4' energy: -130.437
flat angles P-C4'-P energy: -97.342
tors. eta vs tors. theta energy: -205.813
Dist. restrs. and SS energy: 14.917 (S_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: 196
Temperature: 1.350000
Total energy: -2045.310674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.310674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.112899 (E_RNA)
where:
Base-Base interactions energy: -1452.867
where: short stacking energy: -578.535
Base-Backbone interact. energy: 0.733
local terms energy: -603.979471
where:
bonds (distance) C4'-P energy: -111.001
bonds (distance) P-C4' energy: -104.737
flat angles C4'-P-C4' energy: -134.533
flat angles P-C4'-P energy: -83.504
tors. eta vs tors. theta energy: -170.205
Dist. restrs. and SS energy: 10.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2765.922808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.922808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.516721 (E_RNA)
where:
Base-Base interactions energy: -1935.690
where: short stacking energy: -822.590
Base-Backbone interact. energy: 0.496
local terms energy: -842.323215
where:
bonds (distance) C4'-P energy: -143.130
bonds (distance) P-C4' energy: -146.019
flat angles C4'-P-C4' energy: -167.984
flat angles P-C4'-P energy: -131.187
tors. eta vs tors. theta energy: -254.003
Dist. restrs. and SS energy: 11.594 (S_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: 197
Temperature: 0.950000
Total energy: -2685.209175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.209175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.898122 (E_RNA)
where:
Base-Base interactions energy: -1886.738
where: short stacking energy: -772.760
Base-Backbone interact. energy: -4.490
local terms energy: -804.670154
where:
bonds (distance) C4'-P energy: -138.435
bonds (distance) P-C4' energy: -133.778
flat angles C4'-P-C4' energy: -167.307
flat angles P-C4'-P energy: -121.531
tors. eta vs tors. theta energy: -243.618
Dist. restrs. and SS energy: 10.689 (S_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: 197
Temperature: 1.000000
Total energy: -2619.497137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.497137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.618052 (E_RNA)
where:
Base-Base interactions energy: -1832.703
where: short stacking energy: -754.345
Base-Backbone interact. energy: -1.522
local terms energy: -789.393059
where:
bonds (distance) C4'-P energy: -132.756
bonds (distance) P-C4' energy: -133.298
flat angles C4'-P-C4' energy: -169.681
flat angles P-C4'-P energy: -110.265
tors. eta vs tors. theta energy: -243.394
Dist. restrs. and SS energy: 4.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2555.470715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.470715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.077861 (E_RNA)
where:
Base-Base interactions energy: -1791.255
where: short stacking energy: -728.351
Base-Backbone interact. energy: -1.605
local terms energy: -771.217100
where:
bonds (distance) C4'-P energy: -124.861
bonds (distance) P-C4' energy: -139.328
flat angles C4'-P-C4' energy: -155.619
flat angles P-C4'-P energy: -119.133
tors. eta vs tors. theta energy: -232.275
Dist. restrs. and SS energy: 8.607 (S_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: 197
Temperature: 1.100000
Total energy: -2469.384258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.384258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.048963 (E_RNA)
where:
Base-Base interactions energy: -1755.959
where: short stacking energy: -717.463
Base-Backbone interact. energy: -2.555
local terms energy: -715.535452
where:
bonds (distance) C4'-P energy: -122.940
bonds (distance) P-C4' energy: -111.931
flat angles C4'-P-C4' energy: -155.275
flat angles P-C4'-P energy: -111.105
tors. eta vs tors. theta energy: -214.285
Dist. restrs. and SS energy: 4.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2328.493846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.493846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.101855 (E_RNA)
where:
Base-Base interactions energy: -1661.091
where: short stacking energy: -681.838
Base-Backbone interact. energy: 0.097
local terms energy: -679.107643
where:
bonds (distance) C4'-P energy: -105.328
bonds (distance) P-C4' energy: -116.247
flat angles C4'-P-C4' energy: -152.372
flat angles P-C4'-P energy: -94.865
tors. eta vs tors. theta energy: -210.295
Dist. restrs. and SS energy: 11.608 (S_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: 197
Temperature: 1.200000
Total energy: -2383.924755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.924755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.920603 (E_RNA)
where:
Base-Base interactions energy: -1695.519
where: short stacking energy: -686.404
Base-Backbone interact. energy: -1.916
local terms energy: -691.486268
where:
bonds (distance) C4'-P energy: -129.827
bonds (distance) P-C4' energy: -102.033
flat angles C4'-P-C4' energy: -152.066
flat angles P-C4'-P energy: -90.023
tors. eta vs tors. theta energy: -217.537
Dist. restrs. and SS energy: 4.996 (S_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: 197
Temperature: 1.250000
Total energy: -2267.884250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.884250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.189862 (E_RNA)
where:
Base-Base interactions energy: -1638.103
where: short stacking energy: -680.575
Base-Backbone interact. energy: -2.227
local terms energy: -639.860207
where:
bonds (distance) C4'-P energy: -103.488
bonds (distance) P-C4' energy: -118.828
flat angles C4'-P-C4' energy: -124.140
flat angles P-C4'-P energy: -89.949
tors. eta vs tors. theta energy: -203.455
Dist. restrs. and SS energy: 12.306 (S_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: 197
Temperature: 1.300000
Total energy: -2187.920530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.920530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.859323 (E_RNA)
where:
Base-Base interactions energy: -1586.467
where: short stacking energy: -636.413
Base-Backbone interact. energy: -2.403
local terms energy: -617.989558
where:
bonds (distance) C4'-P energy: -99.055
bonds (distance) P-C4' energy: -102.638
flat angles C4'-P-C4' energy: -136.958
flat angles P-C4'-P energy: -90.369
tors. eta vs tors. theta energy: -188.969
Dist. restrs. and SS energy: 18.939 (S_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: 197
Temperature: 1.350000
Total energy: -2085.240708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.240708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.144913 (E_RNA)
where:
Base-Base interactions energy: -1513.807
where: short stacking energy: -594.711
Base-Backbone interact. energy: 3.820
local terms energy: -587.158182
where:
bonds (distance) C4'-P energy: -99.127
bonds (distance) P-C4' energy: -93.065
flat angles C4'-P-C4' energy: -135.659
flat angles P-C4'-P energy: -81.940
tors. eta vs tors. theta energy: -177.368
Dist. restrs. and SS energy: 11.904 (S_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: 198
Temperature: 0.900000
Total energy: -2728.118486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.118486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.369955 (E_RNA)
where:
Base-Base interactions energy: -1931.226
where: short stacking energy: -791.400
Base-Backbone interact. energy: -0.966
local terms energy: -808.178696
where:
bonds (distance) C4'-P energy: -134.848
bonds (distance) P-C4' energy: -143.182
flat angles C4'-P-C4' energy: -164.481
flat angles P-C4'-P energy: -119.863
tors. eta vs tors. theta energy: -245.805
Dist. restrs. and SS energy: 12.251 (S_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: 198
Temperature: 0.950000
Total energy: -2681.968987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.968987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.888394 (E_RNA)
where:
Base-Base interactions energy: -1893.831
where: short stacking energy: -783.835
Base-Backbone interact. energy: -1.578
local terms energy: -798.479140
where:
bonds (distance) C4'-P energy: -128.396
bonds (distance) P-C4' energy: -143.591
flat angles C4'-P-C4' energy: -176.732
flat angles P-C4'-P energy: -110.107
tors. eta vs tors. theta energy: -239.653
Dist. restrs. and SS energy: 11.919 (S_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: 198
Temperature: 1.000000
Total energy: -2643.563366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.563366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.406268 (E_RNA)
where:
Base-Base interactions energy: -1885.042
where: short stacking energy: -761.082
Base-Backbone interact. energy: -0.356
local terms energy: -767.008563
where:
bonds (distance) C4'-P energy: -138.618
bonds (distance) P-C4' energy: -130.660
flat angles C4'-P-C4' energy: -155.790
flat angles P-C4'-P energy: -103.359
tors. eta vs tors. theta energy: -238.582
Dist. restrs. and SS energy: 8.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2578.633244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.633244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.027022 (E_RNA)
where:
Base-Base interactions energy: -1824.662
where: short stacking energy: -747.581
Base-Backbone interact. energy: -2.778
local terms energy: -761.587916
where:
bonds (distance) C4'-P energy: -141.833
bonds (distance) P-C4' energy: -121.307
flat angles C4'-P-C4' energy: -158.822
flat angles P-C4'-P energy: -110.572
tors. eta vs tors. theta energy: -229.054
Dist. restrs. and SS energy: 10.394 (S_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: 198
Temperature: 1.100000
Total energy: -2461.522301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.522301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.064751 (E_RNA)
where:
Base-Base interactions energy: -1776.127
where: short stacking energy: -717.075
Base-Backbone interact. energy: -0.786
local terms energy: -688.151396
where:
bonds (distance) C4'-P energy: -114.362
bonds (distance) P-C4' energy: -115.296
flat angles C4'-P-C4' energy: -144.667
flat angles P-C4'-P energy: -98.112
tors. eta vs tors. theta energy: -215.714
Dist. restrs. and SS energy: 3.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2339.647763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.647763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.460741 (E_RNA)
where:
Base-Base interactions energy: -1664.652
where: short stacking energy: -686.618
Base-Backbone interact. energy: 2.947
local terms energy: -689.756695
where:
bonds (distance) C4'-P energy: -114.137
bonds (distance) P-C4' energy: -135.202
flat angles C4'-P-C4' energy: -137.217
flat angles P-C4'-P energy: -89.368
tors. eta vs tors. theta energy: -213.832
Dist. restrs. and SS energy: 11.813 (S_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: 198
Temperature: 1.200000
Total energy: -2384.993612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.993612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.506430 (E_RNA)
where:
Base-Base interactions energy: -1704.979
where: short stacking energy: -698.175
Base-Backbone interact. energy: 4.165
local terms energy: -689.692653
where:
bonds (distance) C4'-P energy: -111.735
bonds (distance) P-C4' energy: -112.597
flat angles C4'-P-C4' energy: -148.567
flat angles P-C4'-P energy: -94.133
tors. eta vs tors. theta energy: -222.660
Dist. restrs. and SS energy: 5.513 (S_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: 198
Temperature: 1.250000
Total energy: -2249.931582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.931582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.942325 (E_RNA)
where:
Base-Base interactions energy: -1604.134
where: short stacking energy: -655.502
Base-Backbone interact. energy: -1.990
local terms energy: -653.819061
where:
bonds (distance) C4'-P energy: -100.137
bonds (distance) P-C4' energy: -108.961
flat angles C4'-P-C4' energy: -146.242
flat angles P-C4'-P energy: -84.032
tors. eta vs tors. theta energy: -214.447
Dist. restrs. and SS energy: 10.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -2188.663164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.663164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.554646 (E_RNA)
where:
Base-Base interactions energy: -1576.371
where: short stacking energy: -652.246
Base-Backbone interact. energy: -1.798
local terms energy: -620.385624
where:
bonds (distance) C4'-P energy: -98.415
bonds (distance) P-C4' energy: -116.746
flat angles C4'-P-C4' energy: -123.164
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -202.724
Dist. restrs. and SS energy: 9.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -2129.084717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.084717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.490203 (E_RNA)
where:
Base-Base interactions energy: -1494.518
where: short stacking energy: -571.383
Base-Backbone interact. energy: -1.470
local terms energy: -644.502325
where:
bonds (distance) C4'-P energy: -111.860
bonds (distance) P-C4' energy: -124.229
flat angles C4'-P-C4' energy: -144.963
flat angles P-C4'-P energy: -89.323
tors. eta vs tors. theta energy: -174.128
Dist. restrs. and SS energy: 11.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2749.686099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.686099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.119468 (E_RNA)
where:
Base-Base interactions energy: -1929.812
where: short stacking energy: -797.593
Base-Backbone interact. energy: -2.760
local terms energy: -826.547453
where:
bonds (distance) C4'-P energy: -135.637
bonds (distance) P-C4' energy: -144.741
flat angles C4'-P-C4' energy: -169.290
flat angles P-C4'-P energy: -128.076
tors. eta vs tors. theta energy: -248.804
Dist. restrs. and SS energy: 9.433 (S_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: 199
Temperature: 0.950000
Total energy: -2692.459482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.459482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.486566 (E_RNA)
where:
Base-Base interactions energy: -1901.141
where: short stacking energy: -771.659
Base-Backbone interact. energy: -1.079
local terms energy: -799.266763
where:
bonds (distance) C4'-P energy: -130.125
bonds (distance) P-C4' energy: -146.019
flat angles C4'-P-C4' energy: -161.267
flat angles P-C4'-P energy: -113.252
tors. eta vs tors. theta energy: -248.604
Dist. restrs. and SS energy: 9.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2633.925969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.925969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.782882 (E_RNA)
where:
Base-Base interactions energy: -1867.349
where: short stacking energy: -770.983
Base-Backbone interact. energy: 0.724
local terms energy: -775.157309
where:
bonds (distance) C4'-P energy: -135.808
bonds (distance) P-C4' energy: -134.259
flat angles C4'-P-C4' energy: -155.198
flat angles P-C4'-P energy: -107.376
tors. eta vs tors. theta energy: -242.516
Dist. restrs. and SS energy: 7.857 (S_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: 199
Temperature: 1.050000
Total energy: -2560.509787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.509787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.977386 (E_RNA)
where:
Base-Base interactions energy: -1798.764
where: short stacking energy: -733.263
Base-Backbone interact. energy: -2.369
local terms energy: -773.844559
where:
bonds (distance) C4'-P energy: -124.069
bonds (distance) P-C4' energy: -142.676
flat angles C4'-P-C4' energy: -163.030
flat angles P-C4'-P energy: -103.687
tors. eta vs tors. theta energy: -240.382
Dist. restrs. and SS energy: 14.468 (S_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: 199
Temperature: 1.100000
Total energy: -2466.664355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.664355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.839419 (E_RNA)
where:
Base-Base interactions energy: -1755.771
where: short stacking energy: -697.010
Base-Backbone interact. energy: -4.271
local terms energy: -710.797133
where:
bonds (distance) C4'-P energy: -126.104
bonds (distance) P-C4' energy: -118.427
flat angles C4'-P-C4' energy: -151.319
flat angles P-C4'-P energy: -110.841
tors. eta vs tors. theta energy: -204.106
Dist. restrs. and SS energy: 4.175 (S_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: 199
Temperature: 1.150000
Total energy: -2429.657399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.657399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.180101 (E_RNA)
where:
Base-Base interactions energy: -1706.391
where: short stacking energy: -704.108
Base-Backbone interact. energy: -1.761
local terms energy: -728.028174
where:
bonds (distance) C4'-P energy: -134.118
bonds (distance) P-C4' energy: -133.066
flat angles C4'-P-C4' energy: -135.277
flat angles P-C4'-P energy: -100.946
tors. eta vs tors. theta energy: -224.622
Dist. restrs. and SS energy: 6.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2291.300451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.300451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.881730 (E_RNA)
where:
Base-Base interactions energy: -1624.063
where: short stacking energy: -679.280
Base-Backbone interact. energy: -2.732
local terms energy: -672.086553
where:
bonds (distance) C4'-P energy: -112.043
bonds (distance) P-C4' energy: -113.551
flat angles C4'-P-C4' energy: -151.602
flat angles P-C4'-P energy: -92.782
tors. eta vs tors. theta energy: -202.108
Dist. restrs. and SS energy: 7.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2294.900504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.900504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.320981 (E_RNA)
where:
Base-Base interactions energy: -1630.813
where: short stacking energy: -657.193
Base-Backbone interact. energy: -1.741
local terms energy: -670.767397
where:
bonds (distance) C4'-P energy: -107.138
bonds (distance) P-C4' energy: -118.163
flat angles C4'-P-C4' energy: -145.249
flat angles P-C4'-P energy: -86.329
tors. eta vs tors. theta energy: -213.889
Dist. restrs. and SS energy: 8.420 (S_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: 199
Temperature: 1.300000
Total energy: -2230.409726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.409726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.328694 (E_RNA)
where:
Base-Base interactions energy: -1614.880
where: short stacking energy: -635.709
Base-Backbone interact. energy: 5.761
local terms energy: -631.210124
where:
bonds (distance) C4'-P energy: -103.540
bonds (distance) P-C4' energy: -115.221
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -79.091
tors. eta vs tors. theta energy: -193.567
Dist. restrs. and SS energy: 9.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -2111.850203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.850203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.183322 (E_RNA)
where:
Base-Base interactions energy: -1535.216
where: short stacking energy: -606.568
Base-Backbone interact. energy: -2.636
local terms energy: -590.332127
where:
bonds (distance) C4'-P energy: -106.600
bonds (distance) P-C4' energy: -85.672
flat angles C4'-P-C4' energy: -141.388
flat angles P-C4'-P energy: -82.480
tors. eta vs tors. theta energy: -174.192
Dist. restrs. and SS energy: 16.333 (S_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: 200
Temperature: 0.900000
Total energy: -2732.269233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.269233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.343793 (E_RNA)
where:
Base-Base interactions energy: -1922.041
where: short stacking energy: -777.687
Base-Backbone interact. energy: -2.818
local terms energy: -816.484403
where:
bonds (distance) C4'-P energy: -139.558
bonds (distance) P-C4' energy: -139.912
flat angles C4'-P-C4' energy: -170.042
flat angles P-C4'-P energy: -122.813
tors. eta vs tors. theta energy: -244.159
Dist. restrs. and SS energy: 9.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2691.299705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.299705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.413188 (E_RNA)
where:
Base-Base interactions energy: -1880.884
where: short stacking energy: -759.851
Base-Backbone interact. energy: -1.198
local terms energy: -819.330602
where:
bonds (distance) C4'-P energy: -135.034
bonds (distance) P-C4' energy: -151.216
flat angles C4'-P-C4' energy: -164.811
flat angles P-C4'-P energy: -126.806
tors. eta vs tors. theta energy: -241.464
Dist. restrs. and SS energy: 10.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2622.730479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.730479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.365918 (E_RNA)
where:
Base-Base interactions energy: -1869.745
where: short stacking energy: -757.569
Base-Backbone interact. energy: -1.408
local terms energy: -761.212611
where:
bonds (distance) C4'-P energy: -117.865
bonds (distance) P-C4' energy: -142.335
flat angles C4'-P-C4' energy: -151.333
flat angles P-C4'-P energy: -112.437
tors. eta vs tors. theta energy: -237.242
Dist. restrs. and SS energy: 9.635 (S_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: 200
Temperature: 1.050000
Total energy: -2557.845823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.845823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.633458 (E_RNA)
where:
Base-Base interactions energy: -1807.517
where: short stacking energy: -727.256
Base-Backbone interact. energy: -1.636
local terms energy: -765.480965
where:
bonds (distance) C4'-P energy: -122.888
bonds (distance) P-C4' energy: -128.578
flat angles C4'-P-C4' energy: -167.352
flat angles P-C4'-P energy: -112.586
tors. eta vs tors. theta energy: -234.077
Dist. restrs. and SS energy: 16.788 (S_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: 200
Temperature: 1.100000
Total energy: -2417.072573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.072573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.923914 (E_RNA)
where:
Base-Base interactions energy: -1682.052
where: short stacking energy: -705.176
Base-Backbone interact. energy: -1.602
local terms energy: -739.270278
where:
bonds (distance) C4'-P energy: -140.653
bonds (distance) P-C4' energy: -121.467
flat angles C4'-P-C4' energy: -156.415
flat angles P-C4'-P energy: -108.382
tors. eta vs tors. theta energy: -212.352
Dist. restrs. and SS energy: 5.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2391.019356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.019356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.808049 (E_RNA)
where:
Base-Base interactions energy: -1731.776
where: short stacking energy: -688.528
Base-Backbone interact. energy: 0.850
local terms energy: -664.882402
where:
bonds (distance) C4'-P energy: -106.596
bonds (distance) P-C4' energy: -121.105
flat angles C4'-P-C4' energy: -136.728
flat angles P-C4'-P energy: -88.030
tors. eta vs tors. theta energy: -212.423
Dist. restrs. and SS energy: 4.789 (S_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: 200
Temperature: 1.200000
Total energy: -2321.237848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.237848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.611334 (E_RNA)
where:
Base-Base interactions energy: -1658.103
where: short stacking energy: -678.215
Base-Backbone interact. energy: -0.682
local terms energy: -671.826070
where:
bonds (distance) C4'-P energy: -107.405
bonds (distance) P-C4' energy: -120.057
flat angles C4'-P-C4' energy: -144.782
flat angles P-C4'-P energy: -101.284
tors. eta vs tors. theta energy: -198.298
Dist. restrs. and SS energy: 9.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2285.656568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.656568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.212741 (E_RNA)
where:
Base-Base interactions energy: -1647.172
where: short stacking energy: -658.491
Base-Backbone interact. energy: 1.619
local terms energy: -647.659164
where:
bonds (distance) C4'-P energy: -101.628
bonds (distance) P-C4' energy: -105.972
flat angles C4'-P-C4' energy: -134.459
flat angles P-C4'-P energy: -91.246
tors. eta vs tors. theta energy: -214.355
Dist. restrs. and SS energy: 7.556 (S_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: 200
Temperature: 1.300000
Total energy: -2216.121258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.121258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.052897 (E_RNA)
where:
Base-Base interactions energy: -1591.943
where: short stacking energy: -630.903
Base-Backbone interact. energy: 0.778
local terms energy: -634.887508
where:
bonds (distance) C4'-P energy: -109.702
bonds (distance) P-C4' energy: -123.516
flat angles C4'-P-C4' energy: -117.207
flat angles P-C4'-P energy: -95.171
tors. eta vs tors. theta energy: -189.292
Dist. restrs. and SS energy: 9.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -2060.801523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.801523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.425463 (E_RNA)
where:
Base-Base interactions energy: -1473.741
where: short stacking energy: -596.787
Base-Backbone interact. energy: -2.251
local terms energy: -597.434239
where:
bonds (distance) C4'-P energy: -99.077
bonds (distance) P-C4' energy: -103.695
flat angles C4'-P-C4' energy: -131.006
flat angles P-C4'-P energy: -87.088
tors. eta vs tors. theta energy: -176.567
Dist. restrs. and SS energy: 12.624 (S_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: 201
Temperature: 0.900000
Total energy: -2732.078855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.078855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.035012 (E_RNA)
where:
Base-Base interactions energy: -1945.304
where: short stacking energy: -804.743
Base-Backbone interact. energy: -1.961
local terms energy: -795.769450
where:
bonds (distance) C4'-P energy: -133.174
bonds (distance) P-C4' energy: -152.165
flat angles C4'-P-C4' energy: -175.480
flat angles P-C4'-P energy: -95.691
tors. eta vs tors. theta energy: -239.260
Dist. restrs. and SS energy: 10.956 (S_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: 201
Temperature: 0.950000
Total energy: -2693.728124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.728124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.834109 (E_RNA)
where:
Base-Base interactions energy: -1913.141
where: short stacking energy: -783.304
Base-Backbone interact. energy: -0.855
local terms energy: -789.838135
where:
bonds (distance) C4'-P energy: -132.606
bonds (distance) P-C4' energy: -139.709
flat angles C4'-P-C4' energy: -162.034
flat angles P-C4'-P energy: -109.532
tors. eta vs tors. theta energy: -245.957
Dist. restrs. and SS energy: 10.106 (S_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: 201
Temperature: 1.000000
Total energy: -2618.423272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.423272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.618179 (E_RNA)
where:
Base-Base interactions energy: -1846.113
where: short stacking energy: -770.635
Base-Backbone interact. energy: -3.337
local terms energy: -778.169033
where:
bonds (distance) C4'-P energy: -140.926
bonds (distance) P-C4' energy: -141.796
flat angles C4'-P-C4' energy: -163.286
flat angles P-C4'-P energy: -98.369
tors. eta vs tors. theta energy: -233.792
Dist. restrs. and SS energy: 9.195 (S_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: 201
Temperature: 1.050000
Total energy: -2530.496443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.496443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.039149 (E_RNA)
where:
Base-Base interactions energy: -1798.116
where: short stacking energy: -751.074
Base-Backbone interact. energy: -3.490
local terms energy: -743.433253
where:
bonds (distance) C4'-P energy: -131.171
bonds (distance) P-C4' energy: -130.772
flat angles C4'-P-C4' energy: -146.744
flat angles P-C4'-P energy: -108.721
tors. eta vs tors. theta energy: -226.024
Dist. restrs. and SS energy: 14.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2438.652589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.652589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.117615 (E_RNA)
where:
Base-Base interactions energy: -1738.376
where: short stacking energy: -709.229
Base-Backbone interact. energy: -2.870
local terms energy: -701.871413
where:
bonds (distance) C4'-P energy: -133.629
bonds (distance) P-C4' energy: -99.079
flat angles C4'-P-C4' energy: -148.822
flat angles P-C4'-P energy: -114.272
tors. eta vs tors. theta energy: -206.069
Dist. restrs. and SS energy: 4.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2421.658044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.658044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.455879 (E_RNA)
where:
Base-Base interactions energy: -1730.267
where: short stacking energy: -700.940
Base-Backbone interact. energy: 1.028
local terms energy: -697.217252
where:
bonds (distance) C4'-P energy: -117.654
bonds (distance) P-C4' energy: -118.305
flat angles C4'-P-C4' energy: -135.562
flat angles P-C4'-P energy: -94.771
tors. eta vs tors. theta energy: -230.925
Dist. restrs. and SS energy: 4.798 (S_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: 201
Temperature: 1.200000
Total energy: -2288.863328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.863328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.757000 (E_RNA)
where:
Base-Base interactions energy: -1646.024
where: short stacking energy: -656.971
Base-Backbone interact. energy: -2.134
local terms energy: -656.599216
where:
bonds (distance) C4'-P energy: -99.564
bonds (distance) P-C4' energy: -115.183
flat angles C4'-P-C4' energy: -148.763
flat angles P-C4'-P energy: -97.829
tors. eta vs tors. theta energy: -195.259
Dist. restrs. and SS energy: 15.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2257.231461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.231461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.256075 (E_RNA)
where:
Base-Base interactions energy: -1634.447
where: short stacking energy: -663.919
Base-Backbone interact. energy: 1.938
local terms energy: -630.747056
where:
bonds (distance) C4'-P energy: -103.688
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -144.481
flat angles P-C4'-P energy: -80.509
tors. eta vs tors. theta energy: -201.093
Dist. restrs. and SS energy: 6.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -2185.034873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.034873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.893270 (E_RNA)
where:
Base-Base interactions energy: -1559.573
where: short stacking energy: -644.981
Base-Backbone interact. energy: -1.275
local terms energy: -634.045097
where:
bonds (distance) C4'-P energy: -108.735
bonds (distance) P-C4' energy: -106.185
flat angles C4'-P-C4' energy: -141.421
flat angles P-C4'-P energy: -83.176
tors. eta vs tors. theta energy: -194.528
Dist. restrs. and SS energy: 9.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -2065.139895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.139895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.118764 (E_RNA)
where:
Base-Base interactions energy: -1498.215
where: short stacking energy: -592.632
Base-Backbone interact. energy: 6.536
local terms energy: -590.439876
where:
bonds (distance) C4'-P energy: -122.841
bonds (distance) P-C4' energy: -94.472
flat angles C4'-P-C4' energy: -107.888
flat angles P-C4'-P energy: -85.350
tors. eta vs tors. theta energy: -179.888
Dist. restrs. and SS energy: 16.979 (S_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: 202
Temperature: 0.900000
Total energy: -2716.349238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.349238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.875626 (E_RNA)
where:
Base-Base interactions energy: -1920.039
where: short stacking energy: -786.020
Base-Backbone interact. energy: -3.629
local terms energy: -804.207201
where:
bonds (distance) C4'-P energy: -139.911
bonds (distance) P-C4' energy: -153.560
flat angles C4'-P-C4' energy: -167.169
flat angles P-C4'-P energy: -103.651
tors. eta vs tors. theta energy: -239.917
Dist. restrs. and SS energy: 11.526 (S_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: 202
Temperature: 0.950000
Total energy: -2694.377334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.377334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.743939 (E_RNA)
where:
Base-Base interactions energy: -1911.321
where: short stacking energy: -777.869
Base-Backbone interact. energy: 3.481
local terms energy: -795.903395
where:
bonds (distance) C4'-P energy: -131.879
bonds (distance) P-C4' energy: -140.549
flat angles C4'-P-C4' energy: -160.358
flat angles P-C4'-P energy: -114.079
tors. eta vs tors. theta energy: -249.039
Dist. restrs. and SS energy: 9.367 (S_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: 202
Temperature: 1.000000
Total energy: -2622.830668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.830668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.454057 (E_RNA)
where:
Base-Base interactions energy: -1855.021
where: short stacking energy: -764.880
Base-Backbone interact. energy: -3.293
local terms energy: -774.140273
where:
bonds (distance) C4'-P energy: -125.846
bonds (distance) P-C4' energy: -131.329
flat angles C4'-P-C4' energy: -168.147
flat angles P-C4'-P energy: -117.832
tors. eta vs tors. theta energy: -230.987
Dist. restrs. and SS energy: 9.623 (S_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: 202
Temperature: 1.050000
Total energy: -2524.688545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.688545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.473051 (E_RNA)
where:
Base-Base interactions energy: -1793.709
where: short stacking energy: -756.988
Base-Backbone interact. energy: 0.240
local terms energy: -745.003615
where:
bonds (distance) C4'-P energy: -95.297
bonds (distance) P-C4' energy: -138.587
flat angles C4'-P-C4' energy: -172.316
flat angles P-C4'-P energy: -103.328
tors. eta vs tors. theta energy: -235.476
Dist. restrs. and SS energy: 13.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2488.239207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.239207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.179805 (E_RNA)
where:
Base-Base interactions energy: -1779.706
where: short stacking energy: -727.611
Base-Backbone interact. energy: 1.542
local terms energy: -712.016089
where:
bonds (distance) C4'-P energy: -98.239
bonds (distance) P-C4' energy: -121.367
flat angles C4'-P-C4' energy: -158.612
flat angles P-C4'-P energy: -109.532
tors. eta vs tors. theta energy: -224.265
Dist. restrs. and SS energy: 1.941 (S_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: 202
Temperature: 1.150000
Total energy: -2399.832779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.832779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.903002 (E_RNA)
where:
Base-Base interactions energy: -1690.619
where: short stacking energy: -683.442
Base-Backbone interact. energy: -0.664
local terms energy: -713.620081
where:
bonds (distance) C4'-P energy: -134.771
bonds (distance) P-C4' energy: -124.181
flat angles C4'-P-C4' energy: -148.823
flat angles P-C4'-P energy: -89.362
tors. eta vs tors. theta energy: -216.483
Dist. restrs. and SS energy: 5.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2310.677721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.677721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.407987 (E_RNA)
where:
Base-Base interactions energy: -1649.973
where: short stacking energy: -655.988
Base-Backbone interact. energy: -1.956
local terms energy: -674.479297
where:
bonds (distance) C4'-P energy: -116.767
bonds (distance) P-C4' energy: -124.774
flat angles C4'-P-C4' energy: -145.868
flat angles P-C4'-P energy: -78.336
tors. eta vs tors. theta energy: -208.734
Dist. restrs. and SS energy: 15.730 (S_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: 202
Temperature: 1.250000
Total energy: -2258.579665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.579665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.466112 (E_RNA)
where:
Base-Base interactions energy: -1622.664
where: short stacking energy: -649.689
Base-Backbone interact. energy: -1.089
local terms energy: -643.713254
where:
bonds (distance) C4'-P energy: -118.371
bonds (distance) P-C4' energy: -129.138
flat angles C4'-P-C4' energy: -128.473
flat angles P-C4'-P energy: -75.787
tors. eta vs tors. theta energy: -191.945
Dist. restrs. and SS energy: 8.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -2171.782288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.782288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.134874 (E_RNA)
where:
Base-Base interactions energy: -1543.455
where: short stacking energy: -615.626
Base-Backbone interact. energy: -1.840
local terms energy: -639.839755
where:
bonds (distance) C4'-P energy: -113.598
bonds (distance) P-C4' energy: -107.477
flat angles C4'-P-C4' energy: -135.003
flat angles P-C4'-P energy: -92.968
tors. eta vs tors. theta energy: -190.794
Dist. restrs. and SS energy: 13.353 (S_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: 202
Temperature: 1.350000
Total energy: -2140.568582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.568582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.542858 (E_RNA)
where:
Base-Base interactions energy: -1511.198
where: short stacking energy: -605.739
Base-Backbone interact. energy: -4.652
local terms energy: -634.692780
where:
bonds (distance) C4'-P energy: -98.087
bonds (distance) P-C4' energy: -126.698
flat angles C4'-P-C4' energy: -128.383
flat angles P-C4'-P energy: -99.189
tors. eta vs tors. theta energy: -182.336
Dist. restrs. and SS energy: 9.974 (S_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: 203
Temperature: 0.900000
Total energy: -2736.163912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.163912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.105399 (E_RNA)
where:
Base-Base interactions energy: -1922.724
where: short stacking energy: -803.100
Base-Backbone interact. energy: 0.054
local terms energy: -823.435190
where:
bonds (distance) C4'-P energy: -146.539
bonds (distance) P-C4' energy: -141.631
flat angles C4'-P-C4' energy: -175.396
flat angles P-C4'-P energy: -113.521
tors. eta vs tors. theta energy: -246.348
Dist. restrs. and SS energy: 9.941 (S_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: 203
Temperature: 0.950000
Total energy: -2712.543756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.543756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.701711 (E_RNA)
where:
Base-Base interactions energy: -1932.984
where: short stacking energy: -793.322
Base-Backbone interact. energy: 4.912
local terms energy: -794.630382
where:
bonds (distance) C4'-P energy: -152.871
bonds (distance) P-C4' energy: -130.470
flat angles C4'-P-C4' energy: -160.913
flat angles P-C4'-P energy: -104.430
tors. eta vs tors. theta energy: -245.947
Dist. restrs. and SS energy: 10.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2600.645174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.645174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.427269 (E_RNA)
where:
Base-Base interactions energy: -1836.938
where: short stacking energy: -759.887
Base-Backbone interact. energy: -0.516
local terms energy: -771.973653
where:
bonds (distance) C4'-P energy: -124.176
bonds (distance) P-C4' energy: -146.017
flat angles C4'-P-C4' energy: -157.890
flat angles P-C4'-P energy: -104.209
tors. eta vs tors. theta energy: -239.681
Dist. restrs. and SS energy: 8.782 (S_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: 203
Temperature: 1.050000
Total energy: -2535.689656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.689656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.448273 (E_RNA)
where:
Base-Base interactions energy: -1818.183
where: short stacking energy: -774.576
Base-Backbone interact. energy: -1.814
local terms energy: -726.451562
where:
bonds (distance) C4'-P energy: -119.122
bonds (distance) P-C4' energy: -115.624
flat angles C4'-P-C4' energy: -158.386
flat angles P-C4'-P energy: -91.209
tors. eta vs tors. theta energy: -242.110
Dist. restrs. and SS energy: 10.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2446.078213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.078213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.939639 (E_RNA)
where:
Base-Base interactions energy: -1763.426
where: short stacking energy: -702.377
Base-Backbone interact. energy: -5.316
local terms energy: -683.197144
where:
bonds (distance) C4'-P energy: -118.123
bonds (distance) P-C4' energy: -117.173
flat angles C4'-P-C4' energy: -152.853
flat angles P-C4'-P energy: -89.858
tors. eta vs tors. theta energy: -205.191
Dist. restrs. and SS energy: 5.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2415.391332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.391332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.313304 (E_RNA)
where:
Base-Base interactions energy: -1729.755
where: short stacking energy: -699.450
Base-Backbone interact. energy: 1.241
local terms energy: -689.799873
where:
bonds (distance) C4'-P energy: -118.331
bonds (distance) P-C4' energy: -112.331
flat angles C4'-P-C4' energy: -145.911
flat angles P-C4'-P energy: -92.879
tors. eta vs tors. theta energy: -220.348
Dist. restrs. and SS energy: 2.922 (S_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: 203
Temperature: 1.200000
Total energy: -2320.302148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.302148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.253232 (E_RNA)
where:
Base-Base interactions energy: -1636.352
where: short stacking energy: -693.721
Base-Backbone interact. energy: -1.762
local terms energy: -688.139060
where:
bonds (distance) C4'-P energy: -136.376
bonds (distance) P-C4' energy: -113.216
flat angles C4'-P-C4' energy: -144.744
flat angles P-C4'-P energy: -79.814
tors. eta vs tors. theta energy: -213.990
Dist. restrs. and SS energy: 5.951 (S_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: 203
Temperature: 1.250000
Total energy: -2266.828663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.828663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.264733 (E_RNA)
where:
Base-Base interactions energy: -1623.213
where: short stacking energy: -658.435
Base-Backbone interact. energy: -1.083
local terms energy: -653.969393
where:
bonds (distance) C4'-P energy: -114.319
bonds (distance) P-C4' energy: -116.752
flat angles C4'-P-C4' energy: -128.065
flat angles P-C4'-P energy: -94.918
tors. eta vs tors. theta energy: -199.916
Dist. restrs. and SS energy: 11.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -2129.280354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.280354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.331447 (E_RNA)
where:
Base-Base interactions energy: -1551.394
where: short stacking energy: -622.060
Base-Backbone interact. energy: -2.149
local terms energy: -588.788241
where:
bonds (distance) C4'-P energy: -93.818
bonds (distance) P-C4' energy: -104.712
flat angles C4'-P-C4' energy: -122.032
flat angles P-C4'-P energy: -87.531
tors. eta vs tors. theta energy: -180.696
Dist. restrs. and SS energy: 13.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -2079.694596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.694596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.592953 (E_RNA)
where:
Base-Base interactions energy: -1483.999
where: short stacking energy: -618.676
Base-Backbone interact. energy: -0.898
local terms energy: -605.696349
where:
bonds (distance) C4'-P energy: -109.927
bonds (distance) P-C4' energy: -117.952
flat angles C4'-P-C4' energy: -121.786
flat angles P-C4'-P energy: -69.461
tors. eta vs tors. theta energy: -186.570
Dist. restrs. and SS energy: 10.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2704.633829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.633829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.623036 (E_RNA)
where:
Base-Base interactions energy: -1912.084
where: short stacking energy: -778.321
Base-Backbone interact. energy: -0.592
local terms energy: -802.947531
where:
bonds (distance) C4'-P energy: -147.736
bonds (distance) P-C4' energy: -130.282
flat angles C4'-P-C4' energy: -170.545
flat angles P-C4'-P energy: -115.182
tors. eta vs tors. theta energy: -239.203
Dist. restrs. and SS energy: 10.989 (S_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: 204
Temperature: 0.950000
Total energy: -2677.971824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.971824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.567989 (E_RNA)
where:
Base-Base interactions energy: -1868.307
where: short stacking energy: -779.139
Base-Backbone interact. energy: 0.275
local terms energy: -818.536076
where:
bonds (distance) C4'-P energy: -143.779
bonds (distance) P-C4' energy: -131.953
flat angles C4'-P-C4' energy: -168.049
flat angles P-C4'-P energy: -126.009
tors. eta vs tors. theta energy: -248.746
Dist. restrs. and SS energy: 8.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2617.691645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.691645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.874437 (E_RNA)
where:
Base-Base interactions energy: -1853.417
where: short stacking energy: -763.582
Base-Backbone interact. energy: -3.742
local terms energy: -765.715036
where:
bonds (distance) C4'-P energy: -131.676
bonds (distance) P-C4' energy: -137.572
flat angles C4'-P-C4' energy: -152.016
flat angles P-C4'-P energy: -109.380
tors. eta vs tors. theta energy: -235.071
Dist. restrs. and SS energy: 5.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2569.736499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.736499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.270457 (E_RNA)
where:
Base-Base interactions energy: -1823.862
where: short stacking energy: -766.835
Base-Backbone interact. energy: -1.063
local terms energy: -757.345048
where:
bonds (distance) C4'-P energy: -127.802
bonds (distance) P-C4' energy: -130.913
flat angles C4'-P-C4' energy: -146.645
flat angles P-C4'-P energy: -101.575
tors. eta vs tors. theta energy: -250.410
Dist. restrs. and SS energy: 12.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2479.772437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.772437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.437933 (E_RNA)
where:
Base-Base interactions energy: -1765.888
where: short stacking energy: -701.486
Base-Backbone interact. energy: -0.933
local terms energy: -716.616919
where:
bonds (distance) C4'-P energy: -116.661
bonds (distance) P-C4' energy: -125.179
flat angles C4'-P-C4' energy: -161.343
flat angles P-C4'-P energy: -94.826
tors. eta vs tors. theta energy: -218.608
Dist. restrs. and SS energy: 3.665 (S_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: 204
Temperature: 1.150000
Total energy: -2407.673755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.673755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.249059 (E_RNA)
where:
Base-Base interactions energy: -1711.057
where: short stacking energy: -694.589
Base-Backbone interact. energy: 0.293
local terms energy: -701.485445
where:
bonds (distance) C4'-P energy: -123.334
bonds (distance) P-C4' energy: -115.335
flat angles C4'-P-C4' energy: -141.722
flat angles P-C4'-P energy: -106.866
tors. eta vs tors. theta energy: -214.230
Dist. restrs. and SS energy: 4.575 (S_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: 204
Temperature: 1.200000
Total energy: -2401.477686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.477686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.130250 (E_RNA)
where:
Base-Base interactions energy: -1701.213
where: short stacking energy: -693.416
Base-Backbone interact. energy: -3.891
local terms energy: -704.025590
where:
bonds (distance) C4'-P energy: -117.218
bonds (distance) P-C4' energy: -126.145
flat angles C4'-P-C4' energy: -143.456
flat angles P-C4'-P energy: -104.699
tors. eta vs tors. theta energy: -212.508
Dist. restrs. and SS energy: 7.653 (S_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: 204
Temperature: 1.250000
Total energy: -2286.505254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.505254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.215537 (E_RNA)
where:
Base-Base interactions energy: -1650.630
where: short stacking energy: -647.040
Base-Backbone interact. energy: -1.352
local terms energy: -651.234060
where:
bonds (distance) C4'-P energy: -107.017
bonds (distance) P-C4' energy: -113.666
flat angles C4'-P-C4' energy: -135.850
flat angles P-C4'-P energy: -93.322
tors. eta vs tors. theta energy: -201.380
Dist. restrs. and SS energy: 16.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -2172.622360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.622360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.636576 (E_RNA)
where:
Base-Base interactions energy: -1570.106
where: short stacking energy: -638.483
Base-Backbone interact. energy: 6.990
local terms energy: -623.520869
where:
bonds (distance) C4'-P energy: -106.376
bonds (distance) P-C4' energy: -105.312
flat angles C4'-P-C4' energy: -131.429
flat angles P-C4'-P energy: -90.204
tors. eta vs tors. theta energy: -190.199
Dist. restrs. and SS energy: 14.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -2084.659771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.659771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.993127 (E_RNA)
where:
Base-Base interactions energy: -1492.352
where: short stacking energy: -599.076
Base-Backbone interact. energy: 0.882
local terms energy: -604.523304
where:
bonds (distance) C4'-P energy: -97.328
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -128.011
flat angles P-C4'-P energy: -80.494
tors. eta vs tors. theta energy: -185.955
Dist. restrs. and SS energy: 11.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2757.143105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.143105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.200856 (E_RNA)
where:
Base-Base interactions energy: -1966.201
where: short stacking energy: -799.357
Base-Backbone interact. energy: -2.024
local terms energy: -798.975082
where:
bonds (distance) C4'-P energy: -140.530
bonds (distance) P-C4' energy: -131.928
flat angles C4'-P-C4' energy: -163.413
flat angles P-C4'-P energy: -123.512
tors. eta vs tors. theta energy: -239.592
Dist. restrs. and SS energy: 10.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2675.365106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.365106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.660661 (E_RNA)
where:
Base-Base interactions energy: -1895.284
where: short stacking energy: -769.621
Base-Backbone interact. energy: -5.484
local terms energy: -783.893191
where:
bonds (distance) C4'-P energy: -122.011
bonds (distance) P-C4' energy: -137.059
flat angles C4'-P-C4' energy: -159.962
flat angles P-C4'-P energy: -124.078
tors. eta vs tors. theta energy: -240.784
Dist. restrs. and SS energy: 9.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2643.032915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.032915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.373898 (E_RNA)
where:
Base-Base interactions energy: -1848.224
where: short stacking energy: -775.906
Base-Backbone interact. energy: -2.841
local terms energy: -801.309021
where:
bonds (distance) C4'-P energy: -133.492
bonds (distance) P-C4' energy: -140.325
flat angles C4'-P-C4' energy: -156.177
flat angles P-C4'-P energy: -122.868
tors. eta vs tors. theta energy: -248.446
Dist. restrs. and SS energy: 9.341 (S_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: 205
Temperature: 1.050000
Total energy: -2562.996757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.996757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.869749 (E_RNA)
where:
Base-Base interactions energy: -1822.876
where: short stacking energy: -762.183
Base-Backbone interact. energy: 0.197
local terms energy: -753.190169
where:
bonds (distance) C4'-P energy: -136.107
bonds (distance) P-C4' energy: -128.691
flat angles C4'-P-C4' energy: -151.510
flat angles P-C4'-P energy: -102.541
tors. eta vs tors. theta energy: -234.341
Dist. restrs. and SS energy: 12.873 (S_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: 205
Temperature: 1.100000
Total energy: -2498.837430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.837430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.172387 (E_RNA)
where:
Base-Base interactions energy: -1748.919
where: short stacking energy: -708.839
Base-Backbone interact. energy: -1.813
local terms energy: -753.440042
where:
bonds (distance) C4'-P energy: -143.827
bonds (distance) P-C4' energy: -123.336
flat angles C4'-P-C4' energy: -151.217
flat angles P-C4'-P energy: -110.709
tors. eta vs tors. theta energy: -224.351
Dist. restrs. and SS energy: 5.335 (S_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: 205
Temperature: 1.150000
Total energy: -2424.261607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.261607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.490951 (E_RNA)
where:
Base-Base interactions energy: -1725.863
where: short stacking energy: -704.613
Base-Backbone interact. energy: -2.275
local terms energy: -702.352112
where:
bonds (distance) C4'-P energy: -116.772
bonds (distance) P-C4' energy: -127.146
flat angles C4'-P-C4' energy: -150.835
flat angles P-C4'-P energy: -89.535
tors. eta vs tors. theta energy: -218.064
Dist. restrs. and SS energy: 6.229 (S_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: 205
Temperature: 1.200000
Total energy: -2356.665846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.665846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.446897 (E_RNA)
where:
Base-Base interactions energy: -1670.699
where: short stacking energy: -684.148
Base-Backbone interact. energy: -0.661
local terms energy: -693.086118
where:
bonds (distance) C4'-P energy: -101.146
bonds (distance) P-C4' energy: -137.837
flat angles C4'-P-C4' energy: -150.141
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -209.477
Dist. restrs. and SS energy: 7.781 (S_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: 205
Temperature: 1.250000
Total energy: -2275.908925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.908925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.249820 (E_RNA)
where:
Base-Base interactions energy: -1645.457
where: short stacking energy: -660.394
Base-Backbone interact. energy: -2.518
local terms energy: -644.274491
where:
bonds (distance) C4'-P energy: -112.319
bonds (distance) P-C4' energy: -108.799
flat angles C4'-P-C4' energy: -131.257
flat angles P-C4'-P energy: -88.136
tors. eta vs tors. theta energy: -203.763
Dist. restrs. and SS energy: 16.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -2175.005438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.005438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.316633 (E_RNA)
where:
Base-Base interactions energy: -1533.832
where: short stacking energy: -619.920
Base-Backbone interact. energy: -2.210
local terms energy: -655.274716
where:
bonds (distance) C4'-P energy: -117.791
bonds (distance) P-C4' energy: -117.674
flat angles C4'-P-C4' energy: -148.765
flat angles P-C4'-P energy: -80.757
tors. eta vs tors. theta energy: -190.288
Dist. restrs. and SS energy: 16.311 (S_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: 205
Temperature: 1.350000
Total energy: -2046.393935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.393935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.608475 (E_RNA)
where:
Base-Base interactions energy: -1449.279
where: short stacking energy: -589.122
Base-Backbone interact. energy: 2.830
local terms energy: -613.159855
where:
bonds (distance) C4'-P energy: -125.199
bonds (distance) P-C4' energy: -96.086
flat angles C4'-P-C4' energy: -130.392
flat angles P-C4'-P energy: -78.441
tors. eta vs tors. theta energy: -183.042
Dist. restrs. and SS energy: 13.215 (S_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: 206
Temperature: 0.900000
Total energy: -2739.735765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.735765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.704402 (E_RNA)
where:
Base-Base interactions energy: -1951.959
where: short stacking energy: -805.116
Base-Backbone interact. energy: -3.130
local terms energy: -796.615173
where:
bonds (distance) C4'-P energy: -129.572
bonds (distance) P-C4' energy: -134.772
flat angles C4'-P-C4' energy: -169.936
flat angles P-C4'-P energy: -117.477
tors. eta vs tors. theta energy: -244.858
Dist. restrs. and SS energy: 11.969 (S_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: 206
Temperature: 0.950000
Total energy: -2689.258312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.258312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.558019 (E_RNA)
where:
Base-Base interactions energy: -1923.357
where: short stacking energy: -794.455
Base-Backbone interact. energy: 1.333
local terms energy: -778.533173
where:
bonds (distance) C4'-P energy: -128.344
bonds (distance) P-C4' energy: -127.635
flat angles C4'-P-C4' energy: -160.631
flat angles P-C4'-P energy: -115.252
tors. eta vs tors. theta energy: -246.671
Dist. restrs. and SS energy: 11.300 (S_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: 206
Temperature: 1.000000
Total energy: -2625.195493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.195493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.884712 (E_RNA)
where:
Base-Base interactions energy: -1855.544
where: short stacking energy: -778.731
Base-Backbone interact. energy: -1.440
local terms energy: -782.900959
where:
bonds (distance) C4'-P energy: -122.766
bonds (distance) P-C4' energy: -141.621
flat angles C4'-P-C4' energy: -166.320
flat angles P-C4'-P energy: -117.747
tors. eta vs tors. theta energy: -234.447
Dist. restrs. and SS energy: 14.689 (S_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: 206
Temperature: 1.050000
Total energy: -2576.184470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.184470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.227859 (E_RNA)
where:
Base-Base interactions energy: -1833.843
where: short stacking energy: -737.729
Base-Backbone interact. energy: -2.328
local terms energy: -750.057595
where:
bonds (distance) C4'-P energy: -123.972
bonds (distance) P-C4' energy: -115.565
flat angles C4'-P-C4' energy: -159.114
flat angles P-C4'-P energy: -115.521
tors. eta vs tors. theta energy: -235.886
Dist. restrs. and SS energy: 10.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2502.096750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.096750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.575850 (E_RNA)
where:
Base-Base interactions energy: -1789.343
where: short stacking energy: -737.201
Base-Backbone interact. energy: -1.405
local terms energy: -715.827603
where:
bonds (distance) C4'-P energy: -114.098
bonds (distance) P-C4' energy: -135.053
flat angles C4'-P-C4' energy: -141.597
flat angles P-C4'-P energy: -98.817
tors. eta vs tors. theta energy: -226.262
Dist. restrs. and SS energy: 4.479 (S_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: 206
Temperature: 1.150000
Total energy: -2392.538767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.538767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.730231 (E_RNA)
where:
Base-Base interactions energy: -1680.479
where: short stacking energy: -670.196
Base-Backbone interact. energy: 3.553
local terms energy: -718.804129
where:
bonds (distance) C4'-P energy: -123.482
bonds (distance) P-C4' energy: -134.203
flat angles C4'-P-C4' energy: -145.185
flat angles P-C4'-P energy: -102.743
tors. eta vs tors. theta energy: -213.191
Dist. restrs. and SS energy: 3.191 (S_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: 206
Temperature: 1.200000
Total energy: -2344.602762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.602762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.482410 (E_RNA)
where:
Base-Base interactions energy: -1657.866
where: short stacking energy: -668.432
Base-Backbone interact. energy: -3.208
local terms energy: -693.408298
where:
bonds (distance) C4'-P energy: -126.955
bonds (distance) P-C4' energy: -118.586
flat angles C4'-P-C4' energy: -148.148
flat angles P-C4'-P energy: -96.006
tors. eta vs tors. theta energy: -203.714
Dist. restrs. and SS energy: 9.880 (S_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: 206
Temperature: 1.250000
Total energy: -2229.727564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.727564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.839339 (E_RNA)
where:
Base-Base interactions energy: -1604.313
where: short stacking energy: -644.876
Base-Backbone interact. energy: -1.417
local terms energy: -637.109316
where:
bonds (distance) C4'-P energy: -126.000
bonds (distance) P-C4' energy: -86.166
flat angles C4'-P-C4' energy: -127.402
flat angles P-C4'-P energy: -100.804
tors. eta vs tors. theta energy: -196.737
Dist. restrs. and SS energy: 13.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -2214.535777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.535777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.453299 (E_RNA)
where:
Base-Base interactions energy: -1595.223
where: short stacking energy: -617.991
Base-Backbone interact. energy: -0.675
local terms energy: -635.554781
where:
bonds (distance) C4'-P energy: -109.785
bonds (distance) P-C4' energy: -105.800
flat angles C4'-P-C4' energy: -133.690
flat angles P-C4'-P energy: -87.192
tors. eta vs tors. theta energy: -199.088
Dist. restrs. and SS energy: 16.918 (S_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: 206
Temperature: 1.350000
Total energy: -2064.937156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.937156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.835825 (E_RNA)
where:
Base-Base interactions energy: -1481.560
where: short stacking energy: -600.765
Base-Backbone interact. energy: 3.010
local terms energy: -599.286046
where:
bonds (distance) C4'-P energy: -110.878
bonds (distance) P-C4' energy: -102.462
flat angles C4'-P-C4' energy: -135.413
flat angles P-C4'-P energy: -72.873
tors. eta vs tors. theta energy: -177.660
Dist. restrs. and SS energy: 12.899 (S_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: 207
Temperature: 0.900000
Total energy: -2737.571631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.571631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.253608 (E_RNA)
where:
Base-Base interactions energy: -1935.162
where: short stacking energy: -791.752
Base-Backbone interact. energy: -4.091
local terms energy: -808.000473
where:
bonds (distance) C4'-P energy: -130.049
bonds (distance) P-C4' energy: -134.730
flat angles C4'-P-C4' energy: -167.856
flat angles P-C4'-P energy: -121.150
tors. eta vs tors. theta energy: -254.216
Dist. restrs. and SS energy: 9.682 (S_DIST_RNA)
chem. 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: -2678.428459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.428459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.383043 (E_RNA)
where:
Base-Base interactions energy: -1881.079
where: short stacking energy: -764.632
Base-Backbone interact. energy: -1.046
local terms energy: -806.257932
where:
bonds (distance) C4'-P energy: -152.746
bonds (distance) P-C4' energy: -134.019
flat angles C4'-P-C4' energy: -159.947
flat angles P-C4'-P energy: -123.736
tors. eta vs tors. theta energy: -235.809
Dist. restrs. and SS energy: 9.955 (S_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: 207
Temperature: 1.000000
Total energy: -2656.786721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.786721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.900810 (E_RNA)
where:
Base-Base interactions energy: -1904.804
where: short stacking energy: -789.309
Base-Backbone interact. energy: 3.056
local terms energy: -768.152931
where:
bonds (distance) C4'-P energy: -112.512
bonds (distance) P-C4' energy: -139.999
flat angles C4'-P-C4' energy: -163.670
flat angles P-C4'-P energy: -111.731
tors. eta vs tors. theta energy: -240.240
Dist. restrs. and SS energy: 13.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2535.941824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.941824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.582794 (E_RNA)
where:
Base-Base interactions energy: -1796.629
where: short stacking energy: -747.535
Base-Backbone interact. energy: -1.345
local terms energy: -744.609076
where:
bonds (distance) C4'-P energy: -136.270
bonds (distance) P-C4' energy: -128.010
flat angles C4'-P-C4' energy: -150.947
flat angles P-C4'-P energy: -100.987
tors. eta vs tors. theta energy: -228.395
Dist. restrs. and SS energy: 6.641 (S_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: -2517.905615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.905615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.393135 (E_RNA)
where:
Base-Base interactions energy: -1819.611
where: short stacking energy: -753.077
Base-Backbone interact. energy: -1.751
local terms energy: -707.030411
where:
bonds (distance) C4'-P energy: -103.666
bonds (distance) P-C4' energy: -126.398
flat angles C4'-P-C4' energy: -143.758
flat angles P-C4'-P energy: -101.738
tors. eta vs tors. theta energy: -231.470
Dist. restrs. and SS energy: 10.488 (S_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: 207
Temperature: 1.150000
Total energy: -2364.872506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.872506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.072304 (E_RNA)
where:
Base-Base interactions energy: -1675.575
where: short stacking energy: -686.332
Base-Backbone interact. energy: 0.030
local terms energy: -700.527026
where:
bonds (distance) C4'-P energy: -119.667
bonds (distance) P-C4' energy: -123.292
flat angles C4'-P-C4' energy: -155.378
flat angles P-C4'-P energy: -96.301
tors. eta vs tors. theta energy: -205.889
Dist. restrs. and SS energy: 11.200 (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: 207
Temperature: 1.200000
Total energy: -2343.352064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.352064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.126371 (E_RNA)
where:
Base-Base interactions energy: -1692.835
where: short stacking energy: -680.908
Base-Backbone interact. energy: -2.513
local terms energy: -651.778913
where:
bonds (distance) C4'-P energy: -108.170
bonds (distance) P-C4' energy: -116.858
flat angles C4'-P-C4' energy: -140.611
flat angles P-C4'-P energy: -76.686
tors. eta vs tors. theta energy: -209.454
Dist. restrs. and SS energy: 3.774 (S_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: 207
Temperature: 1.250000
Total energy: -2289.564858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.564858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.860685 (E_RNA)
where:
Base-Base interactions energy: -1633.568
where: short stacking energy: -646.851
Base-Backbone interact. energy: -2.125
local terms energy: -666.167831
where:
bonds (distance) C4'-P energy: -98.779
bonds (distance) P-C4' energy: -120.570
flat angles C4'-P-C4' energy: -149.301
flat angles P-C4'-P energy: -87.653
tors. eta vs tors. theta energy: -209.865
Dist. restrs. and SS energy: 12.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -2205.516547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.516547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.009073 (E_RNA)
where:
Base-Base interactions energy: -1591.782
where: short stacking energy: -640.107
Base-Backbone interact. energy: -0.554
local terms energy: -622.672851
where:
bonds (distance) C4'-P energy: -105.354
bonds (distance) P-C4' energy: -106.952
flat angles C4'-P-C4' energy: -134.554
flat angles P-C4'-P energy: -76.286
tors. eta vs tors. theta energy: -199.528
Dist. restrs. and SS energy: 9.493 (S_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: 207
Temperature: 1.350000
Total energy: -2115.329942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.329942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.199092 (E_RNA)
where:
Base-Base interactions energy: -1477.915
where: short stacking energy: -604.212
Base-Backbone interact. energy: -2.397
local terms energy: -652.886941
where:
bonds (distance) C4'-P energy: -130.165
bonds (distance) P-C4' energy: -117.388
flat angles C4'-P-C4' energy: -132.349
flat angles P-C4'-P energy: -83.770
tors. eta vs tors. theta energy: -189.215
Dist. restrs. and SS energy: 17.869 (S_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: 208
Temperature: 0.900000
Total energy: -2753.473446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.473446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.976436 (E_RNA)
where:
Base-Base interactions energy: -1932.928
where: short stacking energy: -799.686
Base-Backbone interact. energy: -3.358
local terms energy: -825.691067
where:
bonds (distance) C4'-P energy: -128.263
bonds (distance) P-C4' energy: -150.131
flat angles C4'-P-C4' energy: -170.323
flat angles P-C4'-P energy: -123.776
tors. eta vs tors. theta energy: -253.198
Dist. restrs. and SS energy: 8.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2638.648384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.648384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.525489 (E_RNA)
where:
Base-Base interactions energy: -1866.151
where: short stacking energy: -753.963
Base-Backbone interact. energy: -1.550
local terms energy: -782.823540
where:
bonds (distance) C4'-P energy: -143.818
bonds (distance) P-C4' energy: -140.740
flat angles C4'-P-C4' energy: -152.795
flat angles P-C4'-P energy: -115.823
tors. eta vs tors. theta energy: -229.647
Dist. restrs. and SS energy: 11.877 (S_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: 208
Temperature: 1.000000
Total energy: -2634.674367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.674367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.593264 (E_RNA)
where:
Base-Base interactions energy: -1868.216
where: short stacking energy: -742.246
Base-Backbone interact. energy: -0.195
local terms energy: -777.182748
where:
bonds (distance) C4'-P energy: -129.108
bonds (distance) P-C4' energy: -142.475
flat angles C4'-P-C4' energy: -152.939
flat angles P-C4'-P energy: -120.503
tors. eta vs tors. theta energy: -232.158
Dist. restrs. and SS energy: 10.919 (S_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: 208
Temperature: 1.050000
Total energy: -2532.947521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.947521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.707215 (E_RNA)
where:
Base-Base interactions energy: -1813.063
where: short stacking energy: -739.042
Base-Backbone interact. energy: 0.657
local terms energy: -730.301202
where:
bonds (distance) C4'-P energy: -125.338
bonds (distance) P-C4' energy: -117.867
flat angles C4'-P-C4' energy: -148.322
flat angles P-C4'-P energy: -106.870
tors. eta vs tors. theta energy: -231.904
Dist. restrs. and SS energy: 9.760 (S_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: -2495.457005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.457005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.210626 (E_RNA)
where:
Base-Base interactions energy: -1782.747
where: short stacking energy: -709.274
Base-Backbone interact. energy: -1.669
local terms energy: -721.794680
where:
bonds (distance) C4'-P energy: -114.427
bonds (distance) P-C4' energy: -132.605
flat angles C4'-P-C4' energy: -161.555
flat angles P-C4'-P energy: -99.259
tors. eta vs tors. theta energy: -213.950
Dist. restrs. and SS energy: 10.754 (S_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: 208
Temperature: 1.150000
Total energy: -2364.767759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.767759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.881276 (E_RNA)
where:
Base-Base interactions energy: -1682.180
where: short stacking energy: -671.710
Base-Backbone interact. energy: 0.029
local terms energy: -688.730332
where:
bonds (distance) C4'-P energy: -118.496
bonds (distance) P-C4' energy: -125.662
flat angles C4'-P-C4' energy: -144.950
flat angles P-C4'-P energy: -91.432
tors. eta vs tors. theta energy: -208.190
Dist. restrs. and SS energy: 6.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2366.289796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.289796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.186623 (E_RNA)
where:
Base-Base interactions energy: -1679.013
where: short stacking energy: -685.056
Base-Backbone interact. energy: -0.913
local terms energy: -692.260547
where:
bonds (distance) C4'-P energy: -116.919
bonds (distance) P-C4' energy: -128.002
flat angles C4'-P-C4' energy: -141.339
flat angles P-C4'-P energy: -104.648
tors. eta vs tors. theta energy: -201.353
Dist. restrs. and SS energy: 5.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2211.098598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.098598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.181524 (E_RNA)
where:
Base-Base interactions energy: -1581.967
where: short stacking energy: -634.618
Base-Backbone interact. energy: -1.908
local terms energy: -649.306361
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -106.876
flat angles C4'-P-C4' energy: -141.400
flat angles P-C4'-P energy: -99.438
tors. eta vs tors. theta energy: -192.260
Dist. restrs. and SS energy: 22.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -2189.647132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.647132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.739492 (E_RNA)
where:
Base-Base interactions energy: -1552.565
where: short stacking energy: -607.378
Base-Backbone interact. energy: 0.538
local terms energy: -647.712268
where:
bonds (distance) C4'-P energy: -108.330
bonds (distance) P-C4' energy: -111.959
flat angles C4'-P-C4' energy: -143.007
flat angles P-C4'-P energy: -90.315
tors. eta vs tors. theta energy: -194.101
Dist. restrs. and SS energy: 10.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -2097.040398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.040398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.680015 (E_RNA)
where:
Base-Base interactions energy: -1509.668
where: short stacking energy: -582.904
Base-Backbone interact. energy: -1.148
local terms energy: -599.863971
where:
bonds (distance) C4'-P energy: -112.365
bonds (distance) P-C4' energy: -115.564
flat angles C4'-P-C4' energy: -122.188
flat angles P-C4'-P energy: -61.414
tors. eta vs tors. theta energy: -188.333
Dist. restrs. and SS energy: 13.640 (S_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: 209
Temperature: 0.900000
Total energy: -2721.040039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.040039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.797849 (E_RNA)
where:
Base-Base interactions energy: -1922.496
where: short stacking energy: -784.874
Base-Backbone interact. energy: -2.394
local terms energy: -805.906938
where:
bonds (distance) C4'-P energy: -133.252
bonds (distance) P-C4' energy: -143.809
flat angles C4'-P-C4' energy: -171.610
flat angles P-C4'-P energy: -113.796
tors. eta vs tors. theta energy: -243.439
Dist. restrs. and SS energy: 9.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2637.428404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.428404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.801177 (E_RNA)
where:
Base-Base interactions energy: -1861.342
where: short stacking energy: -757.386
Base-Backbone interact. energy: -2.132
local terms energy: -786.326738
where:
bonds (distance) C4'-P energy: -138.147
bonds (distance) P-C4' energy: -139.068
flat angles C4'-P-C4' energy: -166.466
flat angles P-C4'-P energy: -110.191
tors. eta vs tors. theta energy: -232.454
Dist. restrs. and SS energy: 12.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2631.914323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.914323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.810544 (E_RNA)
where:
Base-Base interactions energy: -1862.028
where: short stacking energy: -764.903
Base-Backbone interact. energy: -2.031
local terms energy: -778.751543
where:
bonds (distance) C4'-P energy: -129.369
bonds (distance) P-C4' energy: -129.382
flat angles C4'-P-C4' energy: -165.120
flat angles P-C4'-P energy: -114.805
tors. eta vs tors. theta energy: -240.075
Dist. restrs. and SS energy: 10.896 (S_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: 209
Temperature: 1.050000
Total energy: -2581.035692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.035692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.714270 (E_RNA)
where:
Base-Base interactions energy: -1836.845
where: short stacking energy: -745.884
Base-Backbone interact. energy: -0.023
local terms energy: -746.845705
where:
bonds (distance) C4'-P energy: -109.665
bonds (distance) P-C4' energy: -136.184
flat angles C4'-P-C4' energy: -151.681
flat angles P-C4'-P energy: -110.120
tors. eta vs tors. theta energy: -239.196
Dist. restrs. and SS energy: 2.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2486.521025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.521025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.754935 (E_RNA)
where:
Base-Base interactions energy: -1764.917
where: short stacking energy: -716.516
Base-Backbone interact. energy: -1.488
local terms energy: -724.349329
where:
bonds (distance) C4'-P energy: -126.506
bonds (distance) P-C4' energy: -124.880
flat angles C4'-P-C4' energy: -157.460
flat angles P-C4'-P energy: -103.600
tors. eta vs tors. theta energy: -211.902
Dist. restrs. and SS energy: 4.234 (S_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: 209
Temperature: 1.150000
Total energy: -2374.625976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.625976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.260379 (E_RNA)
where:
Base-Base interactions energy: -1722.046
where: short stacking energy: -706.051
Base-Backbone interact. energy: -1.358
local terms energy: -658.855861
where:
bonds (distance) C4'-P energy: -112.758
bonds (distance) P-C4' energy: -98.201
flat angles C4'-P-C4' energy: -149.750
flat angles P-C4'-P energy: -86.456
tors. eta vs tors. theta energy: -211.691
Dist. restrs. and SS energy: 7.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2299.652555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.652555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.408320 (E_RNA)
where:
Base-Base interactions energy: -1631.923
where: short stacking energy: -644.315
Base-Backbone interact. energy: -1.096
local terms energy: -670.389352
where:
bonds (distance) C4'-P energy: -122.326
bonds (distance) P-C4' energy: -120.460
flat angles C4'-P-C4' energy: -128.305
flat angles P-C4'-P energy: -85.463
tors. eta vs tors. theta energy: -213.836
Dist. restrs. and SS energy: 3.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -2216.963245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.963245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.433956 (E_RNA)
where:
Base-Base interactions energy: -1568.497
where: short stacking energy: -651.148
Base-Backbone interact. energy: -4.357
local terms energy: -656.580081
where:
bonds (distance) C4'-P energy: -120.059
bonds (distance) P-C4' energy: -104.361
flat angles C4'-P-C4' energy: -135.800
flat angles P-C4'-P energy: -100.324
tors. eta vs tors. theta energy: -196.036
Dist. restrs. and SS energy: 12.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -2138.540560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.540560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.591909 (E_RNA)
where:
Base-Base interactions energy: -1515.516
where: short stacking energy: -587.151
Base-Backbone interact. energy: -0.821
local terms energy: -635.255088
where:
bonds (distance) C4'-P energy: -121.579
bonds (distance) P-C4' energy: -104.000
flat angles C4'-P-C4' energy: -134.172
flat angles P-C4'-P energy: -90.355
tors. eta vs tors. theta energy: -185.150
Dist. restrs. and SS energy: 13.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -2119.393247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.393247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.390738 (E_RNA)
where:
Base-Base interactions energy: -1535.419
where: short stacking energy: -607.806
Base-Backbone interact. energy: -1.287
local terms energy: -596.685040
where:
bonds (distance) C4'-P energy: -107.182
bonds (distance) P-C4' energy: -83.720
flat angles C4'-P-C4' energy: -136.286
flat angles P-C4'-P energy: -78.623
tors. eta vs tors. theta energy: -190.875
Dist. restrs. and SS energy: 13.997 (S_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: 210
Temperature: 0.900000
Total energy: -2759.896208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.896208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.635513 (E_RNA)
where:
Base-Base interactions energy: -1935.152
where: short stacking energy: -820.131
Base-Backbone interact. energy: -4.479
local terms energy: -831.004317
where:
bonds (distance) C4'-P energy: -142.234
bonds (distance) P-C4' energy: -148.581
flat angles C4'-P-C4' energy: -170.529
flat angles P-C4'-P energy: -120.028
tors. eta vs tors. theta energy: -249.633
Dist. restrs. and SS energy: 10.739 (S_DIST_RNA)
chem. 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: -2668.849732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.849732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.091109 (E_RNA)
where:
Base-Base interactions energy: -1876.133
where: short stacking energy: -795.326
Base-Backbone interact. energy: -0.343
local terms energy: -805.615332
where:
bonds (distance) C4'-P energy: -137.588
bonds (distance) P-C4' energy: -140.469
flat angles C4'-P-C4' energy: -164.629
flat angles P-C4'-P energy: -122.181
tors. eta vs tors. theta energy: -240.749
Dist. restrs. and SS energy: 13.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2639.393205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.393205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.603687 (E_RNA)
where:
Base-Base interactions energy: -1844.823
where: short stacking energy: -755.712
Base-Backbone interact. energy: -1.104
local terms energy: -797.676050
where:
bonds (distance) C4'-P energy: -138.324
bonds (distance) P-C4' energy: -137.300
flat angles C4'-P-C4' energy: -159.018
flat angles P-C4'-P energy: -116.462
tors. eta vs tors. theta energy: -246.573
Dist. restrs. and SS energy: 4.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2574.603648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.603648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.690776 (E_RNA)
where:
Base-Base interactions energy: -1816.845
where: short stacking energy: -741.476
Base-Backbone interact. energy: -1.388
local terms energy: -765.457270
where:
bonds (distance) C4'-P energy: -135.865
bonds (distance) P-C4' energy: -143.106
flat angles C4'-P-C4' energy: -146.584
flat angles P-C4'-P energy: -108.096
tors. eta vs tors. theta energy: -231.807
Dist. restrs. and SS energy: 9.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2507.921374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.921374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.979736 (E_RNA)
where:
Base-Base interactions energy: -1804.139
where: short stacking energy: -740.637
Base-Backbone interact. energy: -1.665
local terms energy: -707.176004
where:
bonds (distance) C4'-P energy: -102.808
bonds (distance) P-C4' energy: -121.445
flat angles C4'-P-C4' energy: -148.371
flat angles P-C4'-P energy: -105.518
tors. eta vs tors. theta energy: -229.034
Dist. restrs. and SS energy: 5.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2377.406426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.406426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.870373 (E_RNA)
where:
Base-Base interactions energy: -1657.820
where: short stacking energy: -670.714
Base-Backbone interact. energy: -1.709
local terms energy: -728.340835
where:
bonds (distance) C4'-P energy: -133.367
bonds (distance) P-C4' energy: -143.515
flat angles C4'-P-C4' energy: -140.288
flat angles P-C4'-P energy: -94.730
tors. eta vs tors. theta energy: -216.440
Dist. restrs. and SS energy: 10.464 (S_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: 210
Temperature: 1.200000
Total energy: -2357.334594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.334594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.080322 (E_RNA)
where:
Base-Base interactions energy: -1685.063
where: short stacking energy: -673.445
Base-Backbone interact. energy: -1.170
local terms energy: -675.847126
where:
bonds (distance) C4'-P energy: -118.634
bonds (distance) P-C4' energy: -115.815
flat angles C4'-P-C4' energy: -146.424
flat angles P-C4'-P energy: -92.763
tors. eta vs tors. theta energy: -202.210
Dist. restrs. and SS energy: 4.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2328.756238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.756238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.458313 (E_RNA)
where:
Base-Base interactions energy: -1659.652
where: short stacking energy: -673.092
Base-Backbone interact. energy: -1.649
local terms energy: -675.156659
where:
bonds (distance) C4'-P energy: -110.223
bonds (distance) P-C4' energy: -122.859
flat angles C4'-P-C4' energy: -138.839
flat angles P-C4'-P energy: -90.060
tors. eta vs tors. theta energy: -213.177
Dist. restrs. and SS energy: 7.702 (S_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: 210
Temperature: 1.300000
Total energy: -2148.795570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.795570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.141545 (E_RNA)
where:
Base-Base interactions energy: -1533.396
where: short stacking energy: -587.707
Base-Backbone interact. energy: -0.184
local terms energy: -621.561506
where:
bonds (distance) C4'-P energy: -106.133
bonds (distance) P-C4' energy: -119.258
flat angles C4'-P-C4' energy: -142.002
flat angles P-C4'-P energy: -84.204
tors. eta vs tors. theta energy: -169.964
Dist. restrs. and SS energy: 6.346 (S_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: 210
Temperature: 1.350000
Total energy: -2118.607063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.607063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.364391 (E_RNA)
where:
Base-Base interactions energy: -1524.426
where: short stacking energy: -618.900
Base-Backbone interact. energy: 1.100
local terms energy: -612.038201
where:
bonds (distance) C4'-P energy: -95.077
bonds (distance) P-C4' energy: -120.256
flat angles C4'-P-C4' energy: -133.512
flat angles P-C4'-P energy: -79.731
tors. eta vs tors. theta energy: -183.462
Dist. restrs. and SS energy: 16.757 (S_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: 211
Temperature: 0.900000
Total energy: -2739.453245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.453245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.237450 (E_RNA)
where:
Base-Base interactions energy: -1940.049
where: short stacking energy: -798.046
Base-Backbone interact. energy: -3.464
local terms energy: -806.724164
where:
bonds (distance) C4'-P energy: -136.490
bonds (distance) P-C4' energy: -144.214
flat angles C4'-P-C4' energy: -168.824
flat angles P-C4'-P energy: -114.725
tors. eta vs tors. theta energy: -242.471
Dist. restrs. and SS energy: 10.784 (S_DIST_RNA)
chem. 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: -2663.187602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.187602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.130417 (E_RNA)
where:
Base-Base interactions energy: -1879.757
where: short stacking energy: -784.294
Base-Backbone interact. energy: -2.528
local terms energy: -794.845587
where:
bonds (distance) C4'-P energy: -137.502
bonds (distance) P-C4' energy: -134.452
flat angles C4'-P-C4' energy: -164.619
flat angles P-C4'-P energy: -104.973
tors. eta vs tors. theta energy: -253.300
Dist. restrs. and SS energy: 13.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2649.689114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.689114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.813487 (E_RNA)
where:
Base-Base interactions energy: -1847.677
where: short stacking energy: -757.525
Base-Backbone interact. energy: -2.252
local terms energy: -802.884750
where:
bonds (distance) C4'-P energy: -143.534
bonds (distance) P-C4' energy: -147.854
flat angles C4'-P-C4' energy: -158.835
flat angles P-C4'-P energy: -111.081
tors. eta vs tors. theta energy: -241.580
Dist. restrs. and SS energy: 3.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2575.302540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.302540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.273775 (E_RNA)
where:
Base-Base interactions energy: -1848.987
where: short stacking energy: -751.110
Base-Backbone interact. energy: -3.303
local terms energy: -734.983661
where:
bonds (distance) C4'-P energy: -126.782
bonds (distance) P-C4' energy: -128.492
flat angles C4'-P-C4' energy: -144.487
flat angles P-C4'-P energy: -100.644
tors. eta vs tors. theta energy: -234.579
Dist. restrs. and SS energy: 11.971 (S_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: -2482.937371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.937371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.449752 (E_RNA)
where:
Base-Base interactions energy: -1755.386
where: short stacking energy: -700.791
Base-Backbone interact. energy: -2.797
local terms energy: -728.267249
where:
bonds (distance) C4'-P energy: -119.563
bonds (distance) P-C4' energy: -131.567
flat angles C4'-P-C4' energy: -146.708
flat angles P-C4'-P energy: -103.159
tors. eta vs tors. theta energy: -227.270
Dist. restrs. and SS energy: 3.512 (S_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: 211
Temperature: 1.150000
Total energy: -2380.313512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.313512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.193851 (E_RNA)
where:
Base-Base interactions energy: -1723.437
where: short stacking energy: -678.137
Base-Backbone interact. energy: -1.157
local terms energy: -666.600043
where:
bonds (distance) C4'-P energy: -129.603
bonds (distance) P-C4' energy: -103.635
flat angles C4'-P-C4' energy: -144.199
flat angles P-C4'-P energy: -89.161
tors. eta vs tors. theta energy: -200.003
Dist. restrs. and SS energy: 10.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2332.242494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.242494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.181125 (E_RNA)
where:
Base-Base interactions energy: -1649.222
where: short stacking energy: -645.422
Base-Backbone interact. energy: -1.682
local terms energy: -686.276998
where:
bonds (distance) C4'-P energy: -123.962
bonds (distance) P-C4' energy: -125.940
flat angles C4'-P-C4' energy: -149.324
flat angles P-C4'-P energy: -84.764
tors. eta vs tors. theta energy: -202.287
Dist. restrs. and SS energy: 4.939 (S_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: 211
Temperature: 1.250000
Total energy: -2299.323633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.323633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.079288 (E_RNA)
where:
Base-Base interactions energy: -1643.173
where: short stacking energy: -641.756
Base-Backbone interact. energy: 0.281
local terms energy: -662.186611
where:
bonds (distance) C4'-P energy: -121.063
bonds (distance) P-C4' energy: -123.043
flat angles C4'-P-C4' energy: -135.962
flat angles P-C4'-P energy: -77.037
tors. eta vs tors. theta energy: -205.082
Dist. restrs. and SS energy: 5.756 (S_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: 211
Temperature: 1.300000
Total energy: -2114.868624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.868624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.415325 (E_RNA)
where:
Base-Base interactions energy: -1505.613
where: short stacking energy: -612.927
Base-Backbone interact. energy: -3.344
local terms energy: -624.458288
where:
bonds (distance) C4'-P energy: -113.060
bonds (distance) P-C4' energy: -109.190
flat angles C4'-P-C4' energy: -132.143
flat angles P-C4'-P energy: -86.255
tors. eta vs tors. theta energy: -183.810
Dist. restrs. and SS energy: 18.547 (S_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: 211
Temperature: 1.350000
Total energy: -2071.908381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.908381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.846527 (E_RNA)
where:
Base-Base interactions energy: -1493.480
where: short stacking energy: -594.667
Base-Backbone interact. energy: -1.446
local terms energy: -584.920731
where:
bonds (distance) C4'-P energy: -112.128
bonds (distance) P-C4' energy: -85.641
flat angles C4'-P-C4' energy: -128.461
flat angles P-C4'-P energy: -85.153
tors. eta vs tors. theta energy: -173.538
Dist. restrs. and SS energy: 7.938 (S_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: 212
Temperature: 0.900000
Total energy: -2746.642404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.642404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.576275 (E_RNA)
where:
Base-Base interactions energy: -1936.972
where: short stacking energy: -800.715
Base-Backbone interact. energy: -0.029
local terms energy: -820.575333
where:
bonds (distance) C4'-P energy: -134.065
bonds (distance) P-C4' energy: -143.499
flat angles C4'-P-C4' energy: -169.855
flat angles P-C4'-P energy: -124.029
tors. eta vs tors. theta energy: -249.128
Dist. restrs. and SS energy: 10.934 (S_DIST_RNA)
chem. 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: -2689.823709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.823709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.940897 (E_RNA)
where:
Base-Base interactions energy: -1877.150
where: short stacking energy: -794.386
Base-Backbone interact. energy: -3.498
local terms energy: -823.292507
where:
bonds (distance) C4'-P energy: -137.361
bonds (distance) P-C4' energy: -145.078
flat angles C4'-P-C4' energy: -172.648
flat angles P-C4'-P energy: -118.251
tors. eta vs tors. theta energy: -249.954
Dist. restrs. and SS energy: 14.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2691.402548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.402548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.341797 (E_RNA)
where:
Base-Base interactions energy: -1892.996
where: short stacking energy: -765.637
Base-Backbone interact. energy: -3.349
local terms energy: -797.997480
where:
bonds (distance) C4'-P energy: -143.097
bonds (distance) P-C4' energy: -139.307
flat angles C4'-P-C4' energy: -157.166
flat angles P-C4'-P energy: -110.772
tors. eta vs tors. theta energy: -247.656
Dist. restrs. and SS energy: 2.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2577.820014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.820014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.752706 (E_RNA)
where:
Base-Base interactions energy: -1818.119
where: short stacking energy: -756.400
Base-Backbone interact. energy: -1.585
local terms energy: -767.049048
where:
bonds (distance) C4'-P energy: -137.478
bonds (distance) P-C4' energy: -140.889
flat angles C4'-P-C4' energy: -154.829
flat angles P-C4'-P energy: -99.979
tors. eta vs tors. theta energy: -233.874
Dist. restrs. and SS energy: 8.933 (S_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: 212
Temperature: 1.100000
Total energy: -2516.647121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.647121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.893305 (E_RNA)
where:
Base-Base interactions energy: -1780.753
where: short stacking energy: -725.385
Base-Backbone interact. energy: -1.746
local terms energy: -737.394236
where:
bonds (distance) C4'-P energy: -133.769
bonds (distance) P-C4' energy: -132.270
flat angles C4'-P-C4' energy: -157.050
flat angles P-C4'-P energy: -95.509
tors. eta vs tors. theta energy: -218.796
Dist. restrs. and SS energy: 3.246 (S_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: 212
Temperature: 1.150000
Total energy: -2407.120987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.120987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.176548 (E_RNA)
where:
Base-Base interactions energy: -1708.488
where: short stacking energy: -683.208
Base-Backbone interact. energy: -1.797
local terms energy: -703.891285
where:
bonds (distance) C4'-P energy: -128.891
bonds (distance) P-C4' energy: -119.112
flat angles C4'-P-C4' energy: -132.544
flat angles P-C4'-P energy: -106.275
tors. eta vs tors. theta energy: -217.069
Dist. restrs. and SS energy: 7.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2319.418934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.418934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.695031 (E_RNA)
where:
Base-Base interactions energy: -1656.082
where: short stacking energy: -667.759
Base-Backbone interact. energy: -2.069
local terms energy: -665.544223
where:
bonds (distance) C4'-P energy: -122.754
bonds (distance) P-C4' energy: -118.703
flat angles C4'-P-C4' energy: -137.644
flat angles P-C4'-P energy: -87.417
tors. eta vs tors. theta energy: -199.026
Dist. restrs. and SS energy: 4.276 (S_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: 212
Temperature: 1.250000
Total energy: -2288.848105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.848105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.080695 (E_RNA)
where:
Base-Base interactions energy: -1620.994
where: short stacking energy: -650.507
Base-Backbone interact. energy: -3.444
local terms energy: -671.642257
where:
bonds (distance) C4'-P energy: -123.428
bonds (distance) P-C4' energy: -102.726
flat angles C4'-P-C4' energy: -135.163
flat angles P-C4'-P energy: -103.362
tors. eta vs tors. theta energy: -206.963
Dist. restrs. and SS energy: 7.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -2144.808427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.808427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.617009 (E_RNA)
where:
Base-Base interactions energy: -1529.701
where: short stacking energy: -612.247
Base-Backbone interact. energy: -1.665
local terms energy: -623.251167
where:
bonds (distance) C4'-P energy: -118.873
bonds (distance) P-C4' energy: -107.657
flat angles C4'-P-C4' energy: -129.711
flat angles P-C4'-P energy: -74.770
tors. eta vs tors. theta energy: -192.240
Dist. restrs. and SS energy: 9.809 (S_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: 212
Temperature: 1.350000
Total energy: -2020.747729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.747729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.102471 (E_RNA)
where:
Base-Base interactions energy: -1454.523
where: short stacking energy: -571.960
Base-Backbone interact. energy: 2.706
local terms energy: -583.286367
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -100.611
flat angles C4'-P-C4' energy: -128.929
flat angles P-C4'-P energy: -66.960
tors. eta vs tors. theta energy: -182.287
Dist. restrs. and SS energy: 14.355 (S_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: 213
Temperature: 0.900000
Total energy: -2748.557608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.557608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.095099 (E_RNA)
where:
Base-Base interactions energy: -1938.041
where: short stacking energy: -799.096
Base-Backbone interact. energy: -1.268
local terms energy: -818.785844
where:
bonds (distance) C4'-P energy: -146.667
bonds (distance) P-C4' energy: -142.652
flat angles C4'-P-C4' energy: -164.833
flat angles P-C4'-P energy: -111.943
tors. eta vs tors. theta energy: -252.692
Dist. restrs. and SS energy: 9.537 (S_DIST_RNA)
chem. 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: -2660.319763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.319763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.289399 (E_RNA)
where:
Base-Base interactions energy: -1886.139
where: short stacking energy: -784.078
Base-Backbone interact. energy: -0.755
local terms energy: -786.395684
where:
bonds (distance) C4'-P energy: -136.287
bonds (distance) P-C4' energy: -134.543
flat angles C4'-P-C4' energy: -162.119
flat angles P-C4'-P energy: -109.556
tors. eta vs tors. theta energy: -243.891
Dist. restrs. and SS energy: 12.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2625.753584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.753584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.871371 (E_RNA)
where:
Base-Base interactions energy: -1832.990
where: short stacking energy: -762.987
Base-Backbone interact. energy: -1.183
local terms energy: -794.697856
where:
bonds (distance) C4'-P energy: -138.207
bonds (distance) P-C4' energy: -130.342
flat angles C4'-P-C4' energy: -157.964
flat angles P-C4'-P energy: -129.270
tors. eta vs tors. theta energy: -238.915
Dist. restrs. and SS energy: 3.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2550.769930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.769930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.096908 (E_RNA)
where:
Base-Base interactions energy: -1804.778
where: short stacking energy: -748.289
Base-Backbone interact. energy: -0.864
local terms energy: -759.454821
where:
bonds (distance) C4'-P energy: -136.396
bonds (distance) P-C4' energy: -132.282
flat angles C4'-P-C4' energy: -153.248
flat angles P-C4'-P energy: -101.025
tors. eta vs tors. theta energy: -236.504
Dist. restrs. and SS energy: 14.327 (S_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: 213
Temperature: 1.100000
Total energy: -2518.700971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.700971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.251731 (E_RNA)
where:
Base-Base interactions energy: -1789.040
where: short stacking energy: -733.236
Base-Backbone interact. energy: -0.984
local terms energy: -733.227728
where:
bonds (distance) C4'-P energy: -125.602
bonds (distance) P-C4' energy: -127.513
flat angles C4'-P-C4' energy: -143.280
flat angles P-C4'-P energy: -93.989
tors. eta vs tors. theta energy: -242.844
Dist. restrs. and SS energy: 4.551 (S_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: 213
Temperature: 1.150000
Total energy: -2375.370697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.370697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.706308 (E_RNA)
where:
Base-Base interactions energy: -1703.942
where: short stacking energy: -695.482
Base-Backbone interact. energy: -3.701
local terms energy: -676.063159
where:
bonds (distance) C4'-P energy: -135.308
bonds (distance) P-C4' energy: -116.907
flat angles C4'-P-C4' energy: -124.037
flat angles P-C4'-P energy: -97.536
tors. eta vs tors. theta energy: -202.276
Dist. restrs. and SS energy: 8.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2343.342022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.342022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.122776 (E_RNA)
where:
Base-Base interactions energy: -1686.543
where: short stacking energy: -678.733
Base-Backbone interact. energy: -3.055
local terms energy: -658.525035
where:
bonds (distance) C4'-P energy: -90.894
bonds (distance) P-C4' energy: -113.073
flat angles C4'-P-C4' energy: -148.116
flat angles P-C4'-P energy: -107.067
tors. eta vs tors. theta energy: -199.375
Dist. restrs. and SS energy: 4.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -2256.756032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.756032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.476578 (E_RNA)
where:
Base-Base interactions energy: -1596.540
where: short stacking energy: -657.375
Base-Backbone interact. energy: 3.596
local terms energy: -669.532098
where:
bonds (distance) C4'-P energy: -95.565
bonds (distance) P-C4' energy: -127.418
flat angles C4'-P-C4' energy: -145.979
flat angles P-C4'-P energy: -91.862
tors. eta vs tors. theta energy: -208.709
Dist. restrs. and SS energy: 5.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -2178.803752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.803752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.012044 (E_RNA)
where:
Base-Base interactions energy: -1579.493
where: short stacking energy: -651.656
Base-Backbone interact. energy: 0.681
local terms energy: -609.200358
where:
bonds (distance) C4'-P energy: -93.837
bonds (distance) P-C4' energy: -106.067
flat angles C4'-P-C4' energy: -121.974
flat angles P-C4'-P energy: -81.948
tors. eta vs tors. theta energy: -205.375
Dist. restrs. and SS energy: 9.208 (S_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: 213
Temperature: 1.350000
Total energy: -2078.394797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.394797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.449026 (E_RNA)
where:
Base-Base interactions energy: -1500.248
where: short stacking energy: -592.875
Base-Backbone interact. energy: -3.142
local terms energy: -594.059092
where:
bonds (distance) C4'-P energy: -101.295
bonds (distance) P-C4' energy: -108.444
flat angles C4'-P-C4' energy: -121.850
flat angles P-C4'-P energy: -85.530
tors. eta vs tors. theta energy: -176.940
Dist. restrs. and SS energy: 19.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2732.862532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.862532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.889258 (E_RNA)
where:
Base-Base interactions energy: -1944.058
where: short stacking energy: -805.386
Base-Backbone interact. energy: -3.016
local terms energy: -796.815301
where:
bonds (distance) C4'-P energy: -136.459
bonds (distance) P-C4' energy: -137.085
flat angles C4'-P-C4' energy: -158.233
flat angles P-C4'-P energy: -107.921
tors. eta vs tors. theta energy: -257.118
Dist. restrs. and SS energy: 11.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2646.450685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.450685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.108482 (E_RNA)
where:
Base-Base interactions energy: -1858.059
where: short stacking energy: -787.505
Base-Backbone interact. energy: -3.986
local terms energy: -797.063030
where:
bonds (distance) C4'-P energy: -129.396
bonds (distance) P-C4' energy: -136.855
flat angles C4'-P-C4' energy: -166.981
flat angles P-C4'-P energy: -119.665
tors. eta vs tors. theta energy: -244.166
Dist. restrs. and SS energy: 12.658 (S_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: 214
Temperature: 1.000000
Total energy: -2614.894141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.894141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.244211 (E_RNA)
where:
Base-Base interactions energy: -1852.716
where: short stacking energy: -756.985
Base-Backbone interact. energy: -1.414
local terms energy: -765.113715
where:
bonds (distance) C4'-P energy: -130.429
bonds (distance) P-C4' energy: -135.845
flat angles C4'-P-C4' energy: -157.399
flat angles P-C4'-P energy: -100.878
tors. eta vs tors. theta energy: -240.562
Dist. restrs. and SS energy: 4.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2530.122468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.122468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.540758 (E_RNA)
where:
Base-Base interactions energy: -1787.325
where: short stacking energy: -739.653
Base-Backbone interact. energy: 0.326
local terms energy: -754.542241
where:
bonds (distance) C4'-P energy: -144.149
bonds (distance) P-C4' energy: -120.002
flat angles C4'-P-C4' energy: -148.129
flat angles P-C4'-P energy: -105.244
tors. eta vs tors. theta energy: -237.018
Dist. restrs. and SS energy: 11.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2533.433842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.433842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.932776 (E_RNA)
where:
Base-Base interactions energy: -1815.806
where: short stacking energy: -738.581
Base-Backbone interact. energy: -3.351
local terms energy: -723.775759
where:
bonds (distance) C4'-P energy: -130.589
bonds (distance) P-C4' energy: -101.275
flat angles C4'-P-C4' energy: -154.771
flat angles P-C4'-P energy: -106.882
tors. eta vs tors. theta energy: -230.257
Dist. restrs. and SS energy: 9.499 (S_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: 214
Temperature: 1.150000
Total energy: -2396.365037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.365037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.056699 (E_RNA)
where:
Base-Base interactions energy: -1702.462
where: short stacking energy: -687.945
Base-Backbone interact. energy: -1.532
local terms energy: -700.062806
where:
bonds (distance) C4'-P energy: -117.440
bonds (distance) P-C4' energy: -121.685
flat angles C4'-P-C4' energy: -160.465
flat angles P-C4'-P energy: -94.889
tors. eta vs tors. theta energy: -205.584
Dist. restrs. and SS energy: 7.692 (S_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: 214
Temperature: 1.200000
Total energy: -2329.381002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.381002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.580849 (E_RNA)
where:
Base-Base interactions energy: -1674.027
where: short stacking energy: -701.815
Base-Backbone interact. energy: -0.175
local terms energy: -660.378346
where:
bonds (distance) C4'-P energy: -112.500
bonds (distance) P-C4' energy: -125.900
flat angles C4'-P-C4' energy: -150.929
flat angles P-C4'-P energy: -65.028
tors. eta vs tors. theta energy: -206.022
Dist. restrs. and SS energy: 5.200 (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: 214
Temperature: 1.250000
Total energy: -2276.596453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.596453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.153953 (E_RNA)
where:
Base-Base interactions energy: -1613.981
where: short stacking energy: -653.499
Base-Backbone interact. energy: -1.234
local terms energy: -671.939086
where:
bonds (distance) C4'-P energy: -124.857
bonds (distance) P-C4' energy: -131.131
flat angles C4'-P-C4' energy: -119.483
flat angles P-C4'-P energy: -100.568
tors. eta vs tors. theta energy: -195.901
Dist. restrs. and SS energy: 10.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -2190.408281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.408281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.412457 (E_RNA)
where:
Base-Base interactions energy: -1579.017
where: short stacking energy: -629.626
Base-Backbone interact. energy: -0.487
local terms energy: -621.908233
where:
bonds (distance) C4'-P energy: -90.563
bonds (distance) P-C4' energy: -106.660
flat angles C4'-P-C4' energy: -131.250
flat angles P-C4'-P energy: -95.685
tors. eta vs tors. theta energy: -197.750
Dist. restrs. and SS energy: 11.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -2048.657081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.657081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.068661 (E_RNA)
where:
Base-Base interactions energy: -1474.012
where: short stacking energy: -580.448
Base-Backbone interact. energy: -1.763
local terms energy: -589.293701
where:
bonds (distance) C4'-P energy: -92.545
bonds (distance) P-C4' energy: -118.092
flat angles C4'-P-C4' energy: -135.374
flat angles P-C4'-P energy: -77.992
tors. eta vs tors. theta energy: -165.291
Dist. restrs. and SS energy: 16.412 (S_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: 215
Temperature: 0.900000
Total energy: -2752.097235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.097235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.746083 (E_RNA)
where:
Base-Base interactions energy: -1947.161
where: short stacking energy: -819.973
Base-Backbone interact. energy: -5.708
local terms energy: -809.877112
where:
bonds (distance) C4'-P energy: -144.006
bonds (distance) P-C4' energy: -131.829
flat angles C4'-P-C4' energy: -158.161
flat angles P-C4'-P energy: -119.482
tors. eta vs tors. theta energy: -256.400
Dist. restrs. and SS energy: 10.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2694.590963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.590963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.662719 (E_RNA)
where:
Base-Base interactions energy: -1896.099
where: short stacking energy: -772.638
Base-Backbone interact. energy: -2.025
local terms energy: -800.538594
where:
bonds (distance) C4'-P energy: -133.119
bonds (distance) P-C4' energy: -143.695
flat angles C4'-P-C4' energy: -168.953
flat angles P-C4'-P energy: -115.899
tors. eta vs tors. theta energy: -238.872
Dist. restrs. and SS energy: 4.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2630.296958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.296958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.706322 (E_RNA)
where:
Base-Base interactions energy: -1847.613
where: short stacking energy: -771.100
Base-Backbone interact. energy: -2.195
local terms energy: -793.898748
where:
bonds (distance) C4'-P energy: -133.057
bonds (distance) P-C4' energy: -136.608
flat angles C4'-P-C4' energy: -164.110
flat angles P-C4'-P energy: -116.785
tors. eta vs tors. theta energy: -243.338
Dist. restrs. and SS energy: 13.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2539.706148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.706148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.199824 (E_RNA)
where:
Base-Base interactions energy: -1792.033
where: short stacking energy: -720.885
Base-Backbone interact. energy: -3.102
local terms energy: -758.064304
where:
bonds (distance) C4'-P energy: -126.650
bonds (distance) P-C4' energy: -138.901
flat angles C4'-P-C4' energy: -150.879
flat angles P-C4'-P energy: -111.678
tors. eta vs tors. theta energy: -229.957
Dist. restrs. and SS energy: 13.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2479.206834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.206834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.757478 (E_RNA)
where:
Base-Base interactions energy: -1741.126
where: short stacking energy: -720.841
Base-Backbone interact. energy: 4.327
local terms energy: -752.957994
where:
bonds (distance) C4'-P energy: -127.116
bonds (distance) P-C4' energy: -139.145
flat angles C4'-P-C4' energy: -147.218
flat angles P-C4'-P energy: -106.320
tors. eta vs tors. theta energy: -233.159
Dist. restrs. and SS energy: 10.551 (S_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: 215
Temperature: 1.150000
Total energy: -2392.036772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.036772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.264782 (E_RNA)
where:
Base-Base interactions energy: -1686.814
where: short stacking energy: -678.776
Base-Backbone interact. energy: -1.052
local terms energy: -714.399707
where:
bonds (distance) C4'-P energy: -126.503
bonds (distance) P-C4' energy: -118.059
flat angles C4'-P-C4' energy: -162.956
flat angles P-C4'-P energy: -91.279
tors. eta vs tors. theta energy: -215.603
Dist. restrs. and SS energy: 10.228 (S_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: 215
Temperature: 1.200000
Total energy: -2284.573773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.573773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.177521 (E_RNA)
where:
Base-Base interactions energy: -1637.253
where: short stacking energy: -654.524
Base-Backbone interact. energy: 2.016
local terms energy: -652.941076
where:
bonds (distance) C4'-P energy: -100.298
bonds (distance) P-C4' energy: -119.471
flat angles C4'-P-C4' energy: -134.874
flat angles P-C4'-P energy: -92.827
tors. eta vs tors. theta energy: -205.471
Dist. restrs. and SS energy: 3.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2262.830065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.830065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.117328 (E_RNA)
where:
Base-Base interactions energy: -1578.764
where: short stacking energy: -633.637
Base-Backbone interact. energy: -2.731
local terms energy: -688.621799
where:
bonds (distance) C4'-P energy: -129.376
bonds (distance) P-C4' energy: -112.189
flat angles C4'-P-C4' energy: -143.744
flat angles P-C4'-P energy: -102.690
tors. eta vs tors. theta energy: -200.623
Dist. restrs. and SS energy: 7.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -2187.506978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.506978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.715531 (E_RNA)
where:
Base-Base interactions energy: -1591.933
where: short stacking energy: -647.359
Base-Backbone interact. energy: 2.499
local terms energy: -614.281652
where:
bonds (distance) C4'-P energy: -104.852
bonds (distance) P-C4' energy: -100.486
flat angles C4'-P-C4' energy: -123.321
flat angles P-C4'-P energy: -87.243
tors. eta vs tors. theta energy: -198.379
Dist. restrs. and SS energy: 16.209 (S_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: 215
Temperature: 1.350000
Total energy: -2043.237913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.237913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.131793 (E_RNA)
where:
Base-Base interactions energy: -1473.433
where: short stacking energy: -587.215
Base-Backbone interact. energy: 5.095
local terms energy: -587.793383
where:
bonds (distance) C4'-P energy: -114.026
bonds (distance) P-C4' energy: -93.445
flat angles C4'-P-C4' energy: -142.476
flat angles P-C4'-P energy: -64.032
tors. eta vs tors. theta energy: -173.814
Dist. restrs. and SS energy: 12.894 (S_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: 216
Temperature: 0.900000
Total energy: -2744.093503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.093503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.238448 (E_RNA)
where:
Base-Base interactions energy: -1929.509
where: short stacking energy: -814.364
Base-Backbone interact. energy: -1.808
local terms energy: -823.921310
where:
bonds (distance) C4'-P energy: -133.460
bonds (distance) P-C4' energy: -136.263
flat angles C4'-P-C4' energy: -168.010
flat angles P-C4'-P energy: -129.618
tors. eta vs tors. theta energy: -256.569
Dist. restrs. and SS energy: 11.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2713.121222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.121222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.163199 (E_RNA)
where:
Base-Base interactions energy: -1911.246
where: short stacking energy: -780.017
Base-Backbone interact. energy: -0.161
local terms energy: -803.756037
where:
bonds (distance) C4'-P energy: -134.035
bonds (distance) P-C4' energy: -132.507
flat angles C4'-P-C4' energy: -167.356
flat angles P-C4'-P energy: -123.666
tors. eta vs tors. theta energy: -246.191
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2582.013013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.013013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.475904 (E_RNA)
where:
Base-Base interactions energy: -1828.924
where: short stacking energy: -738.455
Base-Backbone interact. energy: -0.708
local terms energy: -763.844097
where:
bonds (distance) C4'-P energy: -118.000
bonds (distance) P-C4' energy: -135.879
flat angles C4'-P-C4' energy: -171.100
flat angles P-C4'-P energy: -109.573
tors. eta vs tors. theta energy: -229.291
Dist. restrs. and SS energy: 11.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2532.830947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.830947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.201099 (E_RNA)
where:
Base-Base interactions energy: -1821.297
where: short stacking energy: -748.729
Base-Backbone interact. energy: 0.755
local terms energy: -729.659375
where:
bonds (distance) C4'-P energy: -138.025
bonds (distance) P-C4' energy: -122.139
flat angles C4'-P-C4' energy: -150.422
flat angles P-C4'-P energy: -96.452
tors. eta vs tors. theta energy: -222.620
Dist. restrs. and SS energy: 17.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2452.500507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.500507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.059894 (E_RNA)
where:
Base-Base interactions energy: -1711.874
where: short stacking energy: -713.059
Base-Backbone interact. energy: 5.355
local terms energy: -756.540579
where:
bonds (distance) C4'-P energy: -128.869
bonds (distance) P-C4' energy: -149.919
flat angles C4'-P-C4' energy: -154.784
flat angles P-C4'-P energy: -98.052
tors. eta vs tors. theta energy: -224.917
Dist. restrs. and SS energy: 10.559 (S_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: 216
Temperature: 1.150000
Total energy: -2393.178117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.178117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.582360 (E_RNA)
where:
Base-Base interactions energy: -1696.972
where: short stacking energy: -701.520
Base-Backbone interact. energy: -3.172
local terms energy: -703.437845
where:
bonds (distance) C4'-P energy: -117.984
bonds (distance) P-C4' energy: -125.857
flat angles C4'-P-C4' energy: -152.450
flat angles P-C4'-P energy: -99.180
tors. eta vs tors. theta energy: -207.966
Dist. restrs. and SS energy: 10.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2283.843520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.843520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.007983 (E_RNA)
where:
Base-Base interactions energy: -1644.288
where: short stacking energy: -657.849
Base-Backbone interact. energy: 0.144
local terms energy: -644.864207
where:
bonds (distance) C4'-P energy: -115.966
bonds (distance) P-C4' energy: -108.174
flat angles C4'-P-C4' energy: -143.670
flat angles P-C4'-P energy: -68.250
tors. eta vs tors. theta energy: -208.804
Dist. restrs. and SS energy: 5.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2261.031209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.031209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.199032 (E_RNA)
where:
Base-Base interactions energy: -1611.152
where: short stacking energy: -661.270
Base-Backbone interact. energy: -1.401
local terms energy: -656.645576
where:
bonds (distance) C4'-P energy: -109.631
bonds (distance) P-C4' energy: -119.081
flat angles C4'-P-C4' energy: -136.513
flat angles P-C4'-P energy: -92.288
tors. eta vs tors. theta energy: -199.132
Dist. restrs. and SS energy: 8.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -2160.829791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.829791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.611707 (E_RNA)
where:
Base-Base interactions energy: -1561.422
where: short stacking energy: -635.095
Base-Backbone interact. energy: 0.879
local terms energy: -610.069022
where:
bonds (distance) C4'-P energy: -98.777
bonds (distance) P-C4' energy: -99.952
flat angles C4'-P-C4' energy: -126.875
flat angles P-C4'-P energy: -92.276
tors. eta vs tors. theta energy: -192.188
Dist. restrs. and SS energy: 9.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -2055.223383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.223383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.644135 (E_RNA)
where:
Base-Base interactions energy: -1473.880
where: short stacking energy: -597.767
Base-Backbone interact. energy: 0.414
local terms energy: -596.177893
where:
bonds (distance) C4'-P energy: -96.689
bonds (distance) P-C4' energy: -121.645
flat angles C4'-P-C4' energy: -116.924
flat angles P-C4'-P energy: -87.519
tors. eta vs tors. theta energy: -173.402
Dist. restrs. and SS energy: 14.421 (S_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: 217
Temperature: 0.900000
Total energy: -2746.704997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.704997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.604590 (E_RNA)
where:
Base-Base interactions energy: -1929.736
where: short stacking energy: -804.623
Base-Backbone interact. energy: -2.887
local terms energy: -823.981563
where:
bonds (distance) C4'-P energy: -137.861
bonds (distance) P-C4' energy: -150.750
flat angles C4'-P-C4' energy: -168.835
flat angles P-C4'-P energy: -115.824
tors. eta vs tors. theta energy: -250.712
Dist. restrs. and SS energy: 9.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2746.772271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.772271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.636236 (E_RNA)
where:
Base-Base interactions energy: -1913.091
where: short stacking energy: -808.221
Base-Backbone interact. energy: -2.722
local terms energy: -832.823304
where:
bonds (distance) C4'-P energy: -149.097
bonds (distance) P-C4' energy: -146.279
flat angles C4'-P-C4' energy: -175.205
flat angles P-C4'-P energy: -115.144
tors. eta vs tors. theta energy: -247.098
Dist. restrs. and SS energy: 1.864 (S_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: 217
Temperature: 1.000000
Total energy: -2597.705570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.705570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.783454 (E_RNA)
where:
Base-Base interactions energy: -1832.342
where: short stacking energy: -751.980
Base-Backbone interact. energy: -1.656
local terms energy: -775.785007
where:
bonds (distance) C4'-P energy: -140.289
bonds (distance) P-C4' energy: -127.815
flat angles C4'-P-C4' energy: -155.578
flat angles P-C4'-P energy: -112.146
tors. eta vs tors. theta energy: -239.957
Dist. restrs. and SS energy: 12.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2553.773306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.773306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.702366 (E_RNA)
where:
Base-Base interactions energy: -1805.063
where: short stacking energy: -741.188
Base-Backbone interact. energy: -4.908
local terms energy: -757.731370
where:
bonds (distance) C4'-P energy: -112.636
bonds (distance) P-C4' energy: -128.791
flat angles C4'-P-C4' energy: -161.965
flat angles P-C4'-P energy: -117.229
tors. eta vs tors. theta energy: -237.111
Dist. restrs. and SS energy: 13.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2486.717056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.717056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.390619 (E_RNA)
where:
Base-Base interactions energy: -1779.730
where: short stacking energy: -713.921
Base-Backbone interact. energy: -2.666
local terms energy: -715.994267
where:
bonds (distance) C4'-P energy: -104.033
bonds (distance) P-C4' energy: -130.943
flat angles C4'-P-C4' energy: -144.743
flat angles P-C4'-P energy: -104.851
tors. eta vs tors. theta energy: -231.424
Dist. restrs. and SS energy: 11.674 (S_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: 217
Temperature: 1.150000
Total energy: -2428.578108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.578108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.245100 (E_RNA)
where:
Base-Base interactions energy: -1736.952
where: short stacking energy: -714.510
Base-Backbone interact. energy: -1.061
local terms energy: -700.232361
where:
bonds (distance) C4'-P energy: -119.061
bonds (distance) P-C4' energy: -117.047
flat angles C4'-P-C4' energy: -132.950
flat angles P-C4'-P energy: -109.180
tors. eta vs tors. theta energy: -221.994
Dist. restrs. and SS energy: 9.667 (S_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: 217
Temperature: 1.200000
Total energy: -2336.283314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.283314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.392679 (E_RNA)
where:
Base-Base interactions energy: -1636.303
where: short stacking energy: -671.552
Base-Backbone interact. energy: -2.827
local terms energy: -700.262519
where:
bonds (distance) C4'-P energy: -131.451
bonds (distance) P-C4' energy: -116.829
flat angles C4'-P-C4' energy: -147.622
flat angles P-C4'-P energy: -92.707
tors. eta vs tors. theta energy: -211.654
Dist. restrs. and SS energy: 3.109 (S_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: 217
Temperature: 1.250000
Total energy: -2249.700478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.700478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.497198 (E_RNA)
where:
Base-Base interactions energy: -1587.265
where: short stacking energy: -666.135
Base-Backbone interact. energy: 4.474
local terms energy: -673.706333
where:
bonds (distance) C4'-P energy: -119.416
bonds (distance) P-C4' energy: -121.634
flat angles C4'-P-C4' energy: -139.271
flat angles P-C4'-P energy: -91.031
tors. eta vs tors. theta energy: -202.354
Dist. restrs. and SS energy: 6.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -2140.444520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.444520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.203641 (E_RNA)
where:
Base-Base interactions energy: -1523.858
where: short stacking energy: -583.005
Base-Backbone interact. energy: -1.509
local terms energy: -622.836776
where:
bonds (distance) C4'-P energy: -109.307
bonds (distance) P-C4' energy: -110.573
flat angles C4'-P-C4' energy: -132.233
flat angles P-C4'-P energy: -80.430
tors. eta vs tors. theta energy: -190.294
Dist. restrs. and SS energy: 7.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -2055.447053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.447053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.425525 (E_RNA)
where:
Base-Base interactions energy: -1475.918
where: short stacking energy: -579.510
Base-Backbone interact. energy: -1.082
local terms energy: -590.425860
where:
bonds (distance) C4'-P energy: -100.006
bonds (distance) P-C4' energy: -109.566
flat angles C4'-P-C4' energy: -120.669
flat angles P-C4'-P energy: -80.210
tors. eta vs tors. theta energy: -179.975
Dist. restrs. and SS energy: 11.978 (S_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: 218
Temperature: 0.900000
Total energy: -2723.197276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.197276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.639129 (E_RNA)
where:
Base-Base interactions energy: -1890.736
where: short stacking energy: -780.563
Base-Backbone interact. energy: -3.388
local terms energy: -841.515108
where:
bonds (distance) C4'-P energy: -143.564
bonds (distance) P-C4' energy: -151.411
flat angles C4'-P-C4' energy: -166.051
flat angles P-C4'-P energy: -133.877
tors. eta vs tors. theta energy: -246.612
Dist. restrs. and SS energy: 12.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2716.870373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.870373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.782501 (E_RNA)
where:
Base-Base interactions energy: -1928.078
where: short stacking energy: -795.893
Base-Backbone interact. energy: 1.317
local terms energy: -801.022043
where:
bonds (distance) C4'-P energy: -142.376
bonds (distance) P-C4' energy: -142.360
flat angles C4'-P-C4' energy: -165.546
flat angles P-C4'-P energy: -101.897
tors. eta vs tors. theta energy: -248.842
Dist. restrs. and SS energy: 10.912 (S_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: 218
Temperature: 1.000000
Total energy: -2615.744465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.744465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.695165 (E_RNA)
where:
Base-Base interactions energy: -1863.762
where: short stacking energy: -756.406
Base-Backbone interact. energy: 0.198
local terms energy: -761.131958
where:
bonds (distance) C4'-P energy: -120.595
bonds (distance) P-C4' energy: -134.362
flat angles C4'-P-C4' energy: -158.161
flat angles P-C4'-P energy: -117.706
tors. eta vs tors. theta energy: -230.307
Dist. restrs. and SS energy: 8.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2568.043860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.043860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.128593 (E_RNA)
where:
Base-Base interactions energy: -1814.022
where: short stacking energy: -740.972
Base-Backbone interact. energy: -2.839
local terms energy: -764.267900
where:
bonds (distance) C4'-P energy: -123.971
bonds (distance) P-C4' energy: -133.135
flat angles C4'-P-C4' energy: -167.770
flat angles P-C4'-P energy: -114.411
tors. eta vs tors. theta energy: -224.981
Dist. restrs. and SS energy: 13.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2503.971597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.971597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.643720 (E_RNA)
where:
Base-Base interactions energy: -1782.104
where: short stacking energy: -728.285
Base-Backbone interact. energy: -1.802
local terms energy: -728.737495
where:
bonds (distance) C4'-P energy: -122.667
bonds (distance) P-C4' energy: -140.817
flat angles C4'-P-C4' energy: -154.152
flat angles P-C4'-P energy: -86.920
tors. eta vs tors. theta energy: -224.181
Dist. restrs. and SS energy: 8.672 (S_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: 218
Temperature: 1.150000
Total energy: -2422.336695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.336695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.325942 (E_RNA)
where:
Base-Base interactions energy: -1729.086
where: short stacking energy: -701.418
Base-Backbone interact. energy: -2.236
local terms energy: -700.003642
where:
bonds (distance) C4'-P energy: -111.409
bonds (distance) P-C4' energy: -119.728
flat angles C4'-P-C4' energy: -149.441
flat angles P-C4'-P energy: -102.193
tors. eta vs tors. theta energy: -217.234
Dist. restrs. and SS energy: 8.989 (S_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: 218
Temperature: 1.200000
Total energy: -2329.749099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.749099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.563434 (E_RNA)
where:
Base-Base interactions energy: -1663.458
where: short stacking energy: -667.973
Base-Backbone interact. energy: -2.706
local terms energy: -667.399465
where:
bonds (distance) C4'-P energy: -127.090
bonds (distance) P-C4' energy: -113.776
flat angles C4'-P-C4' energy: -138.328
flat angles P-C4'-P energy: -90.508
tors. eta vs tors. theta energy: -197.697
Dist. restrs. and SS energy: 3.814 (S_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: 218
Temperature: 1.250000
Total energy: -2254.089183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.089183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.966932 (E_RNA)
where:
Base-Base interactions energy: -1607.937
where: short stacking energy: -649.302
Base-Backbone interact. energy: -3.166
local terms energy: -657.863910
where:
bonds (distance) C4'-P energy: -119.077
bonds (distance) P-C4' energy: -106.424
flat angles C4'-P-C4' energy: -136.391
flat angles P-C4'-P energy: -90.546
tors. eta vs tors. theta energy: -205.426
Dist. restrs. and SS energy: 14.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -2174.936847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.936847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.417807 (E_RNA)
where:
Base-Base interactions energy: -1537.352
where: short stacking energy: -628.780
Base-Backbone interact. energy: -1.245
local terms energy: -653.821458
where:
bonds (distance) C4'-P energy: -121.535
bonds (distance) P-C4' energy: -116.879
flat angles C4'-P-C4' energy: -150.210
flat angles P-C4'-P energy: -70.265
tors. eta vs tors. theta energy: -194.933
Dist. restrs. and SS energy: 17.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -2027.284928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.284928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.742047 (E_RNA)
where:
Base-Base interactions energy: -1496.744
where: short stacking energy: -604.169
Base-Backbone interact. energy: 1.696
local terms energy: -549.694131
where:
bonds (distance) C4'-P energy: -75.500
bonds (distance) P-C4' energy: -99.322
flat angles C4'-P-C4' energy: -132.504
flat angles P-C4'-P energy: -74.245
tors. eta vs tors. theta energy: -168.124
Dist. restrs. and SS energy: 17.457 (S_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: 219
Temperature: 0.900000
Total energy: -2736.282254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.282254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.833276 (E_RNA)
where:
Base-Base interactions energy: -1929.226
where: short stacking energy: -793.688
Base-Backbone interact. energy: -1.378
local terms energy: -817.229917
where:
bonds (distance) C4'-P energy: -142.129
bonds (distance) P-C4' energy: -141.343
flat angles C4'-P-C4' energy: -161.030
flat angles P-C4'-P energy: -126.847
tors. eta vs tors. theta energy: -245.880
Dist. restrs. and SS energy: 11.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2703.116019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.116019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.572854 (E_RNA)
where:
Base-Base interactions energy: -1904.237
where: short stacking energy: -764.917
Base-Backbone interact. energy: -0.163
local terms energy: -807.172764
where:
bonds (distance) C4'-P energy: -144.345
bonds (distance) P-C4' energy: -140.976
flat angles C4'-P-C4' energy: -158.848
flat angles P-C4'-P energy: -124.116
tors. eta vs tors. theta energy: -238.888
Dist. restrs. and SS energy: 8.457 (S_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: 219
Temperature: 1.000000
Total energy: -2598.394521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.394521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.376055 (E_RNA)
where:
Base-Base interactions energy: -1840.562
where: short stacking energy: -741.233
Base-Backbone interact. energy: -1.857
local terms energy: -766.957585
where:
bonds (distance) C4'-P energy: -136.261
bonds (distance) P-C4' energy: -127.390
flat angles C4'-P-C4' energy: -167.082
flat angles P-C4'-P energy: -115.593
tors. eta vs tors. theta energy: -220.632
Dist. restrs. and SS energy: 10.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2525.201977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.201977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.533679 (E_RNA)
where:
Base-Base interactions energy: -1790.991
where: short stacking energy: -726.885
Base-Backbone interact. energy: -0.985
local terms energy: -747.557526
where:
bonds (distance) C4'-P energy: -132.560
bonds (distance) P-C4' energy: -127.792
flat angles C4'-P-C4' energy: -146.775
flat angles P-C4'-P energy: -116.851
tors. eta vs tors. theta energy: -223.579
Dist. restrs. and SS energy: 14.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2505.214046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.214046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.637242 (E_RNA)
where:
Base-Base interactions energy: -1787.505
where: short stacking energy: -734.059
Base-Backbone interact. energy: -4.452
local terms energy: -726.680406
where:
bonds (distance) C4'-P energy: -136.455
bonds (distance) P-C4' energy: -130.314
flat angles C4'-P-C4' energy: -160.064
flat angles P-C4'-P energy: -83.188
tors. eta vs tors. theta energy: -216.660
Dist. restrs. and SS energy: 13.423 (S_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: 219
Temperature: 1.150000
Total energy: -2424.466346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.466346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.526568 (E_RNA)
where:
Base-Base interactions energy: -1753.245
where: short stacking energy: -715.497
Base-Backbone interact. energy: 5.127
local terms energy: -686.408601
where:
bonds (distance) C4'-P energy: -98.719
bonds (distance) P-C4' energy: -131.755
flat angles C4'-P-C4' energy: -150.134
flat angles P-C4'-P energy: -92.208
tors. eta vs tors. theta energy: -213.592
Dist. restrs. and SS energy: 10.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2301.366802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.366802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.991409 (E_RNA)
where:
Base-Base interactions energy: -1630.457
where: short stacking energy: -657.574
Base-Backbone interact. energy: -0.826
local terms energy: -675.708079
where:
bonds (distance) C4'-P energy: -114.715
bonds (distance) P-C4' energy: -106.630
flat angles C4'-P-C4' energy: -147.195
flat angles P-C4'-P energy: -103.050
tors. eta vs tors. theta energy: -204.119
Dist. restrs. and SS energy: 5.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2286.793074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.793074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.644284 (E_RNA)
where:
Base-Base interactions energy: -1624.677
where: short stacking energy: -652.354
Base-Backbone interact. energy: 0.893
local terms energy: -670.860301
where:
bonds (distance) C4'-P energy: -130.413
bonds (distance) P-C4' energy: -119.923
flat angles C4'-P-C4' energy: -124.361
flat angles P-C4'-P energy: -79.864
tors. eta vs tors. theta energy: -216.300
Dist. restrs. and SS energy: 7.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -2166.218933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.218933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.929248 (E_RNA)
where:
Base-Base interactions energy: -1563.041
where: short stacking energy: -614.574
Base-Backbone interact. energy: 2.180
local terms energy: -623.068160
where:
bonds (distance) C4'-P energy: -106.331
bonds (distance) P-C4' energy: -91.204
flat angles C4'-P-C4' energy: -136.058
flat angles P-C4'-P energy: -100.167
tors. eta vs tors. theta energy: -189.309
Dist. restrs. and SS energy: 17.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -2058.391288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.391288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.209456 (E_RNA)
where:
Base-Base interactions energy: -1498.369
where: short stacking energy: -595.335
Base-Backbone interact. energy: -1.980
local terms energy: -569.860198
where:
bonds (distance) C4'-P energy: -96.135
bonds (distance) P-C4' energy: -92.699
flat angles C4'-P-C4' energy: -113.655
flat angles P-C4'-P energy: -73.692
tors. eta vs tors. theta energy: -193.679
Dist. restrs. and SS energy: 11.818 (S_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: 220
Temperature: 0.900000
Total energy: -2746.533914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.533914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.003096 (E_RNA)
where:
Base-Base interactions energy: -1943.531
where: short stacking energy: -819.618
Base-Backbone interact. energy: -2.593
local terms energy: -811.879900
where:
bonds (distance) C4'-P energy: -126.446
bonds (distance) P-C4' energy: -143.353
flat angles C4'-P-C4' energy: -167.049
flat angles P-C4'-P energy: -118.607
tors. eta vs tors. theta energy: -256.425
Dist. restrs. and SS energy: 11.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2715.616304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.616304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.311795 (E_RNA)
where:
Base-Base interactions energy: -1922.958
where: short stacking energy: -817.132
Base-Backbone interact. energy: 0.010
local terms energy: -802.364346
where:
bonds (distance) C4'-P energy: -124.512
bonds (distance) P-C4' energy: -148.802
flat angles C4'-P-C4' energy: -161.612
flat angles P-C4'-P energy: -113.098
tors. eta vs tors. theta energy: -254.340
Dist. restrs. and SS energy: 9.695 (S_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: 220
Temperature: 1.000000
Total energy: -2586.728362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.728362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.793557 (E_RNA)
where:
Base-Base interactions energy: -1847.243
where: short stacking energy: -735.272
Base-Backbone interact. energy: 0.402
local terms energy: -751.952533
where:
bonds (distance) C4'-P energy: -129.051
bonds (distance) P-C4' energy: -127.708
flat angles C4'-P-C4' energy: -151.279
flat angles P-C4'-P energy: -112.134
tors. eta vs tors. theta energy: -231.780
Dist. restrs. and SS energy: 12.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2581.312276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.312276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.358314 (E_RNA)
where:
Base-Base interactions energy: -1828.337
where: short stacking energy: -762.372
Base-Backbone interact. energy: -0.208
local terms energy: -765.813367
where:
bonds (distance) C4'-P energy: -127.266
bonds (distance) P-C4' energy: -124.404
flat angles C4'-P-C4' energy: -161.148
flat angles P-C4'-P energy: -112.173
tors. eta vs tors. theta energy: -240.822
Dist. restrs. and SS energy: 13.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2488.126036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.126036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.536423 (E_RNA)
where:
Base-Base interactions energy: -1760.173
where: short stacking energy: -726.469
Base-Backbone interact. energy: -2.591
local terms energy: -739.772855
where:
bonds (distance) C4'-P energy: -127.448
bonds (distance) P-C4' energy: -135.519
flat angles C4'-P-C4' energy: -144.233
flat angles P-C4'-P energy: -98.941
tors. eta vs tors. theta energy: -233.632
Dist. restrs. and SS energy: 14.410 (S_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: 220
Temperature: 1.150000
Total energy: -2402.728635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.728635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.847398 (E_RNA)
where:
Base-Base interactions energy: -1713.292
where: short stacking energy: -703.763
Base-Backbone interact. energy: -1.773
local terms energy: -697.782966
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -121.748
flat angles C4'-P-C4' energy: -151.598
flat angles P-C4'-P energy: -84.910
tors. eta vs tors. theta energy: -214.395
Dist. restrs. and SS energy: 10.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2339.980600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.980600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.252678 (E_RNA)
where:
Base-Base interactions energy: -1664.481
where: short stacking energy: -667.729
Base-Backbone interact. energy: -1.767
local terms energy: -677.004183
where:
bonds (distance) C4'-P energy: -108.262
bonds (distance) P-C4' energy: -115.927
flat angles C4'-P-C4' energy: -140.050
flat angles P-C4'-P energy: -98.744
tors. eta vs tors. theta energy: -214.020
Dist. restrs. and SS energy: 3.272 (S_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: 220
Temperature: 1.250000
Total energy: -2235.434535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.434535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.266301 (E_RNA)
where:
Base-Base interactions energy: -1594.806
where: short stacking energy: -646.026
Base-Backbone interact. energy: 1.360
local terms energy: -659.820239
where:
bonds (distance) C4'-P energy: -116.956
bonds (distance) P-C4' energy: -100.270
flat angles C4'-P-C4' energy: -146.582
flat angles P-C4'-P energy: -101.326
tors. eta vs tors. theta energy: -194.687
Dist. restrs. and SS energy: 17.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -2202.683182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.683182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.701364 (E_RNA)
where:
Base-Base interactions energy: -1568.809
where: short stacking energy: -620.864
Base-Backbone interact. energy: 0.310
local terms energy: -642.202499
where:
bonds (distance) C4'-P energy: -94.779
bonds (distance) P-C4' energy: -102.820
flat angles C4'-P-C4' energy: -156.145
flat angles P-C4'-P energy: -85.005
tors. eta vs tors. theta energy: -203.453
Dist. restrs. and SS energy: 8.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -2119.327059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.327059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.464484 (E_RNA)
where:
Base-Base interactions energy: -1538.928
where: short stacking energy: -632.792
Base-Backbone interact. energy: -2.297
local terms energy: -593.239052
where:
bonds (distance) C4'-P energy: -101.510
bonds (distance) P-C4' energy: -85.333
flat angles C4'-P-C4' energy: -130.068
flat angles P-C4'-P energy: -92.452
tors. eta vs tors. theta energy: -183.876
Dist. restrs. and SS energy: 15.137 (S_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: 221
Temperature: 0.900000
Total energy: -2764.874709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.874709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.641494 (E_RNA)
where:
Base-Base interactions energy: -1939.610
where: short stacking energy: -804.026
Base-Backbone interact. energy: -2.292
local terms energy: -830.739611
where:
bonds (distance) C4'-P energy: -121.903
bonds (distance) P-C4' energy: -145.274
flat angles C4'-P-C4' energy: -177.270
flat angles P-C4'-P energy: -128.525
tors. eta vs tors. theta energy: -257.767
Dist. restrs. and SS energy: 7.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2720.480051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.480051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.723575 (E_RNA)
where:
Base-Base interactions energy: -1930.183
where: short stacking energy: -784.831
Base-Backbone interact. energy: -2.413
local terms energy: -794.127268
where:
bonds (distance) C4'-P energy: -133.258
bonds (distance) P-C4' energy: -138.815
flat angles C4'-P-C4' energy: -164.362
flat angles P-C4'-P energy: -105.478
tors. eta vs tors. theta energy: -252.215
Dist. restrs. and SS energy: 6.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2597.565410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.565410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.056898 (E_RNA)
where:
Base-Base interactions energy: -1847.048
where: short stacking energy: -754.716
Base-Backbone interact. energy: -2.552
local terms energy: -759.456721
where:
bonds (distance) C4'-P energy: -128.622
bonds (distance) P-C4' energy: -128.705
flat angles C4'-P-C4' energy: -166.678
flat angles P-C4'-P energy: -108.186
tors. eta vs tors. theta energy: -227.266
Dist. restrs. and SS energy: 11.491 (S_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: 221
Temperature: 1.050000
Total energy: -2582.645375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.645375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.727206 (E_RNA)
where:
Base-Base interactions energy: -1852.551
where: short stacking energy: -776.045
Base-Backbone interact. energy: -0.978
local terms energy: -748.198169
where:
bonds (distance) C4'-P energy: -125.870
bonds (distance) P-C4' energy: -109.933
flat angles C4'-P-C4' energy: -164.919
flat angles P-C4'-P energy: -105.370
tors. eta vs tors. theta energy: -242.106
Dist. restrs. and SS energy: 19.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2463.480501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.480501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.812429 (E_RNA)
where:
Base-Base interactions energy: -1749.897
where: short stacking energy: -704.490
Base-Backbone interact. energy: -0.798
local terms energy: -721.116835
where:
bonds (distance) C4'-P energy: -128.049
bonds (distance) P-C4' energy: -119.180
flat angles C4'-P-C4' energy: -139.457
flat angles P-C4'-P energy: -111.342
tors. eta vs tors. theta energy: -223.090
Dist. restrs. and SS energy: 8.332 (S_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: 221
Temperature: 1.150000
Total energy: -2440.603141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.603141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.562771 (E_RNA)
where:
Base-Base interactions energy: -1698.468
where: short stacking energy: -689.050
Base-Backbone interact. energy: -2.956
local terms energy: -745.139190
where:
bonds (distance) C4'-P energy: -144.290
bonds (distance) P-C4' energy: -131.751
flat angles C4'-P-C4' energy: -141.606
flat angles P-C4'-P energy: -103.551
tors. eta vs tors. theta energy: -223.942
Dist. restrs. and SS energy: 5.960 (S_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: 221
Temperature: 1.200000
Total energy: -2362.722717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.722717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.280921 (E_RNA)
where:
Base-Base interactions energy: -1665.862
where: short stacking energy: -673.709
Base-Backbone interact. energy: -2.365
local terms energy: -698.053606
where:
bonds (distance) C4'-P energy: -129.919
bonds (distance) P-C4' energy: -99.771
flat angles C4'-P-C4' energy: -151.768
flat angles P-C4'-P energy: -106.337
tors. eta vs tors. theta energy: -210.258
Dist. restrs. and SS energy: 3.558 (S_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: 221
Temperature: 1.250000
Total energy: -2187.033537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.033537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.815319 (E_RNA)
where:
Base-Base interactions energy: -1558.913
where: short stacking energy: -623.503
Base-Backbone interact. energy: -1.300
local terms energy: -634.602211
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -109.853
flat angles C4'-P-C4' energy: -123.644
flat angles P-C4'-P energy: -86.090
tors. eta vs tors. theta energy: -197.065
Dist. restrs. and SS energy: 7.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -2230.531700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.531700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.248446 (E_RNA)
where:
Base-Base interactions energy: -1599.895
where: short stacking energy: -647.337
Base-Backbone interact. energy: 1.100
local terms energy: -637.453938
where:
bonds (distance) C4'-P energy: -116.880
bonds (distance) P-C4' energy: -118.318
flat angles C4'-P-C4' energy: -121.809
flat angles P-C4'-P energy: -84.364
tors. eta vs tors. theta energy: -196.084
Dist. restrs. and SS energy: 5.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -2098.690814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.690814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.118560 (E_RNA)
where:
Base-Base interactions energy: -1496.649
where: short stacking energy: -603.286
Base-Backbone interact. energy: 0.262
local terms energy: -616.731456
where:
bonds (distance) C4'-P energy: -90.461
bonds (distance) P-C4' energy: -122.733
flat angles C4'-P-C4' energy: -138.303
flat angles P-C4'-P energy: -77.416
tors. eta vs tors. theta energy: -187.818
Dist. restrs. and SS energy: 14.428 (S_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: 222
Temperature: 0.900000
Total energy: -2755.739679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.739679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.443187 (E_RNA)
where:
Base-Base interactions energy: -1945.489
where: short stacking energy: -789.794
Base-Backbone interact. energy: -2.974
local terms energy: -818.980485
where:
bonds (distance) C4'-P energy: -142.100
bonds (distance) P-C4' energy: -146.994
flat angles C4'-P-C4' energy: -164.702
flat angles P-C4'-P energy: -118.079
tors. eta vs tors. theta energy: -247.105
Dist. restrs. and SS energy: 11.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2723.823245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.823245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.258178 (E_RNA)
where:
Base-Base interactions energy: -1912.949
where: short stacking energy: -788.367
Base-Backbone interact. energy: 1.212
local terms energy: -819.521031
where:
bonds (distance) C4'-P energy: -140.838
bonds (distance) P-C4' energy: -140.315
flat angles C4'-P-C4' energy: -165.437
flat angles P-C4'-P energy: -122.757
tors. eta vs tors. theta energy: -250.173
Dist. restrs. and SS energy: 7.435 (S_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: 222
Temperature: 1.000000
Total energy: -2595.640904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.640904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.562240 (E_RNA)
where:
Base-Base interactions energy: -1834.226
where: short stacking energy: -750.003
Base-Backbone interact. energy: -2.968
local terms energy: -771.368603
where:
bonds (distance) C4'-P energy: -129.412
bonds (distance) P-C4' energy: -132.068
flat angles C4'-P-C4' energy: -173.092
flat angles P-C4'-P energy: -107.462
tors. eta vs tors. theta energy: -229.334
Dist. restrs. and SS energy: 12.921 (S_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: 222
Temperature: 1.050000
Total energy: -2556.175112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.175112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.203992 (E_RNA)
where:
Base-Base interactions energy: -1828.021
where: short stacking energy: -745.752
Base-Backbone interact. energy: -0.916
local terms energy: -737.266744
where:
bonds (distance) C4'-P energy: -124.750
bonds (distance) P-C4' energy: -133.428
flat angles C4'-P-C4' energy: -153.983
flat angles P-C4'-P energy: -98.721
tors. eta vs tors. theta energy: -226.384
Dist. restrs. and SS energy: 10.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2474.641516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.641516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.294066 (E_RNA)
where:
Base-Base interactions energy: -1785.359
where: short stacking energy: -714.472
Base-Backbone interact. energy: -1.719
local terms energy: -699.215860
where:
bonds (distance) C4'-P energy: -107.470
bonds (distance) P-C4' energy: -123.354
flat angles C4'-P-C4' energy: -149.072
flat angles P-C4'-P energy: -97.296
tors. eta vs tors. theta energy: -222.024
Dist. restrs. and SS energy: 11.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2392.354531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.354531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.572833 (E_RNA)
where:
Base-Base interactions energy: -1680.857
where: short stacking energy: -692.949
Base-Backbone interact. energy: 0.492
local terms energy: -727.208284
where:
bonds (distance) C4'-P energy: -136.721
bonds (distance) P-C4' energy: -119.724
flat angles C4'-P-C4' energy: -152.920
flat angles P-C4'-P energy: -97.269
tors. eta vs tors. theta energy: -220.573
Dist. restrs. and SS energy: 15.218 (S_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: 222
Temperature: 1.200000
Total energy: -2316.506135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.506135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.811644 (E_RNA)
where:
Base-Base interactions energy: -1640.078
where: short stacking energy: -678.195
Base-Backbone interact. energy: -3.009
local terms energy: -677.724823
where:
bonds (distance) C4'-P energy: -118.462
bonds (distance) P-C4' energy: -124.313
flat angles C4'-P-C4' energy: -138.773
flat angles P-C4'-P energy: -84.740
tors. eta vs tors. theta energy: -211.437
Dist. restrs. and SS energy: 4.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -2190.300915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.300915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.462102 (E_RNA)
where:
Base-Base interactions energy: -1588.704
where: short stacking energy: -622.859
Base-Backbone interact. energy: -1.061
local terms energy: -612.697931
where:
bonds (distance) C4'-P energy: -118.243
bonds (distance) P-C4' energy: -101.755
flat angles C4'-P-C4' energy: -128.771
flat angles P-C4'-P energy: -84.961
tors. eta vs tors. theta energy: -178.968
Dist. restrs. and SS energy: 12.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -2164.137647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.137647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.784783 (E_RNA)
where:
Base-Base interactions energy: -1530.806
where: short stacking energy: -625.159
Base-Backbone interact. energy: 2.691
local terms energy: -647.670095
where:
bonds (distance) C4'-P energy: -106.471
bonds (distance) P-C4' energy: -103.245
flat angles C4'-P-C4' energy: -138.821
flat angles P-C4'-P energy: -97.112
tors. eta vs tors. theta energy: -202.021
Dist. restrs. and SS energy: 11.647 (S_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: 222
Temperature: 1.350000
Total energy: -2088.359535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.359535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.439565 (E_RNA)
where:
Base-Base interactions energy: -1493.547
where: short stacking energy: -584.885
Base-Backbone interact. energy: 2.939
local terms energy: -611.831514
where:
bonds (distance) C4'-P energy: -102.691
bonds (distance) P-C4' energy: -112.576
flat angles C4'-P-C4' energy: -133.042
flat angles P-C4'-P energy: -78.700
tors. eta vs tors. theta energy: -184.823
Dist. restrs. and SS energy: 14.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2733.028594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.028594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.604525 (E_RNA)
where:
Base-Base interactions energy: -1947.841
where: short stacking energy: -778.816
Base-Backbone interact. energy: -1.509
local terms energy: -794.254749
where:
bonds (distance) C4'-P energy: -136.996
bonds (distance) P-C4' energy: -137.745
flat angles C4'-P-C4' energy: -166.313
flat angles P-C4'-P energy: -111.506
tors. eta vs tors. theta energy: -241.694
Dist. restrs. and SS energy: 10.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2721.798078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.798078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.260441 (E_RNA)
where:
Base-Base interactions energy: -1919.555
where: short stacking energy: -793.832
Base-Backbone interact. energy: -1.351
local terms energy: -807.354738
where:
bonds (distance) C4'-P energy: -129.040
bonds (distance) P-C4' energy: -143.815
flat angles C4'-P-C4' energy: -172.865
flat angles P-C4'-P energy: -114.347
tors. eta vs tors. theta energy: -247.289
Dist. restrs. and SS energy: 6.462 (S_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: 223
Temperature: 1.000000
Total energy: -2579.266981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.266981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.420459 (E_RNA)
where:
Base-Base interactions energy: -1827.843
where: short stacking energy: -741.762
Base-Backbone interact. energy: -0.080
local terms energy: -764.497531
where:
bonds (distance) C4'-P energy: -129.846
bonds (distance) P-C4' energy: -135.479
flat angles C4'-P-C4' energy: -153.997
flat angles P-C4'-P energy: -106.707
tors. eta vs tors. theta energy: -238.469
Dist. restrs. and SS energy: 13.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2557.064485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.064485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.343606 (E_RNA)
where:
Base-Base interactions energy: -1824.714
where: short stacking energy: -745.048
Base-Backbone interact. energy: -2.578
local terms energy: -738.051463
where:
bonds (distance) C4'-P energy: -133.474
bonds (distance) P-C4' energy: -108.333
flat angles C4'-P-C4' energy: -154.100
flat angles P-C4'-P energy: -108.975
tors. eta vs tors. theta energy: -233.170
Dist. restrs. and SS energy: 8.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2471.803473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.803473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.775115 (E_RNA)
where:
Base-Base interactions energy: -1759.014
where: short stacking energy: -727.458
Base-Backbone interact. energy: 0.212
local terms energy: -725.972876
where:
bonds (distance) C4'-P energy: -134.687
bonds (distance) P-C4' energy: -125.615
flat angles C4'-P-C4' energy: -158.625
flat angles P-C4'-P energy: -82.457
tors. eta vs tors. theta energy: -224.589
Dist. restrs. and SS energy: 12.972 (S_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: 223
Temperature: 1.150000
Total energy: -2409.615930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.615930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.038216 (E_RNA)
where:
Base-Base interactions energy: -1720.597
where: short stacking energy: -722.235
Base-Backbone interact. energy: 4.032
local terms energy: -699.472953
where:
bonds (distance) C4'-P energy: -108.164
bonds (distance) P-C4' energy: -130.884
flat angles C4'-P-C4' energy: -146.998
flat angles P-C4'-P energy: -96.573
tors. eta vs tors. theta energy: -216.853
Dist. restrs. and SS energy: 6.422 (S_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: 223
Temperature: 1.200000
Total energy: -2369.223700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.223700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.923047 (E_RNA)
where:
Base-Base interactions energy: -1693.714
where: short stacking energy: -679.432
Base-Backbone interact. energy: -1.191
local terms energy: -678.018094
where:
bonds (distance) C4'-P energy: -124.157
bonds (distance) P-C4' energy: -129.586
flat angles C4'-P-C4' energy: -139.455
flat angles P-C4'-P energy: -76.641
tors. eta vs tors. theta energy: -208.179
Dist. restrs. and SS energy: 3.699 (S_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: 223
Temperature: 1.250000
Total energy: -2219.695654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.695654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.047975 (E_RNA)
where:
Base-Base interactions energy: -1594.441
where: short stacking energy: -631.627
Base-Backbone interact. energy: -1.326
local terms energy: -632.281228
where:
bonds (distance) C4'-P energy: -102.192
bonds (distance) P-C4' energy: -107.736
flat angles C4'-P-C4' energy: -134.401
flat angles P-C4'-P energy: -80.856
tors. eta vs tors. theta energy: -207.095
Dist. restrs. and SS energy: 8.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -2141.439846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.439846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.383916 (E_RNA)
where:
Base-Base interactions energy: -1534.285
where: short stacking energy: -598.371
Base-Backbone interact. energy: -1.271
local terms energy: -612.828498
where:
bonds (distance) C4'-P energy: -101.000
bonds (distance) P-C4' energy: -101.790
flat angles C4'-P-C4' energy: -146.847
flat angles P-C4'-P energy: -82.835
tors. eta vs tors. theta energy: -180.356
Dist. restrs. and SS energy: 6.944 (S_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: 223
Temperature: 1.350000
Total energy: -2102.834005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.834005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.145969 (E_RNA)
where:
Base-Base interactions energy: -1500.907
where: short stacking energy: -604.133
Base-Backbone interact. energy: 1.132
local terms energy: -616.370846
where:
bonds (distance) C4'-P energy: -102.229
bonds (distance) P-C4' energy: -115.074
flat angles C4'-P-C4' energy: -132.536
flat angles P-C4'-P energy: -80.222
tors. eta vs tors. theta energy: -186.309
Dist. restrs. and SS energy: 13.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2786.883635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.883635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.696470 (E_RNA)
where:
Base-Base interactions energy: -1976.792
where: short stacking energy: -811.152
Base-Backbone interact. energy: -3.580
local terms energy: -812.324481
where:
bonds (distance) C4'-P energy: -142.205
bonds (distance) P-C4' energy: -137.069
flat angles C4'-P-C4' energy: -159.808
flat angles P-C4'-P energy: -121.509
tors. eta vs tors. theta energy: -251.734
Dist. restrs. and SS energy: 5.813 (S_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: 224
Temperature: 0.950000
Total energy: -2738.506699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.506699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.935150 (E_RNA)
where:
Base-Base interactions energy: -1937.251
where: short stacking energy: -803.818
Base-Backbone interact. energy: -2.330
local terms energy: -810.353729
where:
bonds (distance) C4'-P energy: -135.430
bonds (distance) P-C4' energy: -134.948
flat angles C4'-P-C4' energy: -163.375
flat angles P-C4'-P energy: -129.603
tors. eta vs tors. theta energy: -246.998
Dist. restrs. and SS energy: 11.428 (S_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: 224
Temperature: 1.000000
Total energy: -2614.020940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.020940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.481047 (E_RNA)
where:
Base-Base interactions energy: -1853.459
where: short stacking energy: -771.908
Base-Backbone interact. energy: -1.504
local terms energy: -773.517617
where:
bonds (distance) C4'-P energy: -143.507
bonds (distance) P-C4' energy: -121.579
flat angles C4'-P-C4' energy: -157.840
flat angles P-C4'-P energy: -115.238
tors. eta vs tors. theta energy: -235.353
Dist. restrs. and SS energy: 14.460 (S_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: 224
Temperature: 1.050000
Total energy: -2567.936455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.936455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.200732 (E_RNA)
where:
Base-Base interactions energy: -1820.260
where: short stacking energy: -740.013
Base-Backbone interact. energy: -2.462
local terms energy: -751.478226
where:
bonds (distance) C4'-P energy: -134.885
bonds (distance) P-C4' energy: -137.311
flat angles C4'-P-C4' energy: -147.132
flat angles P-C4'-P energy: -103.600
tors. eta vs tors. theta energy: -228.549
Dist. restrs. and SS energy: 6.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2514.167459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.167459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.155707 (E_RNA)
where:
Base-Base interactions energy: -1775.795
where: short stacking energy: -696.408
Base-Backbone interact. energy: -2.616
local terms energy: -750.745194
where:
bonds (distance) C4'-P energy: -122.728
bonds (distance) P-C4' energy: -144.185
flat angles C4'-P-C4' energy: -151.942
flat angles P-C4'-P energy: -112.238
tors. eta vs tors. theta energy: -219.652
Dist. restrs. and SS energy: 14.988 (S_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: 224
Temperature: 1.150000
Total energy: -2402.062879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.062879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.497884 (E_RNA)
where:
Base-Base interactions energy: -1710.487
where: short stacking energy: -701.362
Base-Backbone interact. energy: -1.378
local terms energy: -698.633071
where:
bonds (distance) C4'-P energy: -123.288
bonds (distance) P-C4' energy: -117.914
flat angles C4'-P-C4' energy: -141.295
flat angles P-C4'-P energy: -91.698
tors. eta vs tors. theta energy: -224.439
Dist. restrs. and SS energy: 8.435 (S_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: 224
Temperature: 1.200000
Total energy: -2358.127405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.127405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.431575 (E_RNA)
where:
Base-Base interactions energy: -1678.953
where: short stacking energy: -672.024
Base-Backbone interact. energy: -2.539
local terms energy: -678.940240
where:
bonds (distance) C4'-P energy: -107.549
bonds (distance) P-C4' energy: -136.925
flat angles C4'-P-C4' energy: -150.834
flat angles P-C4'-P energy: -85.185
tors. eta vs tors. theta energy: -198.447
Dist. restrs. and SS energy: 2.304 (S_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: 224
Temperature: 1.250000
Total energy: -2203.128315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.128315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.026897 (E_RNA)
where:
Base-Base interactions energy: -1591.175
where: short stacking energy: -639.004
Base-Backbone interact. energy: 1.323
local terms energy: -624.175510
where:
bonds (distance) C4'-P energy: -109.785
bonds (distance) P-C4' energy: -101.314
flat angles C4'-P-C4' energy: -126.715
flat angles P-C4'-P energy: -90.221
tors. eta vs tors. theta energy: -196.140
Dist. restrs. and SS energy: 10.899 (S_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: -2151.020084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.020084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.062364 (E_RNA)
where:
Base-Base interactions energy: -1543.609
where: short stacking energy: -590.948
Base-Backbone interact. energy: -1.316
local terms energy: -613.137940
where:
bonds (distance) C4'-P energy: -94.434
bonds (distance) P-C4' energy: -121.206
flat angles C4'-P-C4' energy: -126.348
flat angles P-C4'-P energy: -78.745
tors. eta vs tors. theta energy: -192.406
Dist. restrs. and SS energy: 7.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -2096.443526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.443526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.800112 (E_RNA)
where:
Base-Base interactions energy: -1510.153
where: short stacking energy: -610.972
Base-Backbone interact. energy: -4.297
local terms energy: -595.350495
where:
bonds (distance) C4'-P energy: -95.108
bonds (distance) P-C4' energy: -96.850
flat angles C4'-P-C4' energy: -133.376
flat angles P-C4'-P energy: -74.870
tors. eta vs tors. theta energy: -195.147
Dist. restrs. and SS energy: 13.357 (S_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: 225
Temperature: 0.900000
Total energy: -2773.689409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.689409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.426404 (E_RNA)
where:
Base-Base interactions energy: -1973.993
where: short stacking energy: -811.985
Base-Backbone interact. energy: -1.438
local terms energy: -803.995901
where:
bonds (distance) C4'-P energy: -139.633
bonds (distance) P-C4' energy: -145.063
flat angles C4'-P-C4' energy: -156.105
flat angles P-C4'-P energy: -114.406
tors. eta vs tors. theta energy: -248.788
Dist. restrs. and SS energy: 5.737 (S_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: 225
Temperature: 0.950000
Total energy: -2733.628212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.628212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.744949 (E_RNA)
where:
Base-Base interactions energy: -1938.398
where: short stacking energy: -810.326
Base-Backbone interact. energy: -1.826
local terms energy: -803.521160
where:
bonds (distance) C4'-P energy: -139.462
bonds (distance) P-C4' energy: -125.862
flat angles C4'-P-C4' energy: -172.319
flat angles P-C4'-P energy: -114.105
tors. eta vs tors. theta energy: -251.773
Dist. restrs. and SS energy: 10.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2602.173556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.173556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.942022 (E_RNA)
where:
Base-Base interactions energy: -1829.372
where: short stacking energy: -731.252
Base-Backbone interact. energy: -4.544
local terms energy: -779.026042
where:
bonds (distance) C4'-P energy: -140.098
bonds (distance) P-C4' energy: -129.483
flat angles C4'-P-C4' energy: -158.763
flat angles P-C4'-P energy: -120.847
tors. eta vs tors. theta energy: -229.835
Dist. restrs. and SS energy: 10.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2532.816577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.816577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.887815 (E_RNA)
where:
Base-Base interactions energy: -1785.981
where: short stacking energy: -721.713
Base-Backbone interact. energy: -3.446
local terms energy: -753.460322
where:
bonds (distance) C4'-P energy: -118.512
bonds (distance) P-C4' energy: -144.585
flat angles C4'-P-C4' energy: -159.664
flat angles P-C4'-P energy: -103.505
tors. eta vs tors. theta energy: -227.193
Dist. restrs. and SS energy: 10.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2513.532287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.532287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.861494 (E_RNA)
where:
Base-Base interactions energy: -1785.545
where: short stacking energy: -717.832
Base-Backbone interact. energy: -2.742
local terms energy: -738.573666
where:
bonds (distance) C4'-P energy: -108.730
bonds (distance) P-C4' energy: -120.323
flat angles C4'-P-C4' energy: -154.398
flat angles P-C4'-P energy: -119.697
tors. eta vs tors. theta energy: -235.426
Dist. restrs. and SS energy: 13.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2432.034980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.034980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.484109 (E_RNA)
where:
Base-Base interactions energy: -1730.117
where: short stacking energy: -691.952
Base-Backbone interact. energy: 0.138
local terms energy: -707.504947
where:
bonds (distance) C4'-P energy: -108.560
bonds (distance) P-C4' energy: -133.841
flat angles C4'-P-C4' energy: -142.769
flat angles P-C4'-P energy: -99.504
tors. eta vs tors. theta energy: -222.831
Dist. restrs. and SS energy: 5.449 (S_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: 225
Temperature: 1.200000
Total energy: -2336.837713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.837713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.945617 (E_RNA)
where:
Base-Base interactions energy: -1646.691
where: short stacking energy: -675.904
Base-Backbone interact. energy: -3.107
local terms energy: -698.146859
where:
bonds (distance) C4'-P energy: -141.924
bonds (distance) P-C4' energy: -110.489
flat angles C4'-P-C4' energy: -140.720
flat angles P-C4'-P energy: -92.684
tors. eta vs tors. theta energy: -212.329
Dist. restrs. and SS energy: 11.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -2180.103057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.103057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.898194 (E_RNA)
where:
Base-Base interactions energy: -1575.877
where: short stacking energy: -656.529
Base-Backbone interact. energy: 1.547
local terms energy: -620.567481
where:
bonds (distance) C4'-P energy: -91.665
bonds (distance) P-C4' energy: -104.636
flat angles C4'-P-C4' energy: -134.381
flat angles P-C4'-P energy: -93.692
tors. eta vs tors. theta energy: -196.194
Dist. restrs. and SS energy: 14.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -2108.925813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.925813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.743240 (E_RNA)
where:
Base-Base interactions energy: -1494.341
where: short stacking energy: -628.245
Base-Backbone interact. energy: -3.173
local terms energy: -627.228843
where:
bonds (distance) C4'-P energy: -114.014
bonds (distance) P-C4' energy: -101.426
flat angles C4'-P-C4' energy: -128.662
flat angles P-C4'-P energy: -94.901
tors. eta vs tors. theta energy: -188.226
Dist. restrs. and SS energy: 15.817 (S_DIST_RNA)
chem. 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: -2098.695884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.695884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.409704 (E_RNA)
where:
Base-Base interactions energy: -1487.422
where: short stacking energy: -592.341
Base-Backbone interact. energy: -2.188
local terms energy: -623.799896
where:
bonds (distance) C4'-P energy: -104.809
bonds (distance) P-C4' energy: -106.145
flat angles C4'-P-C4' energy: -141.345
flat angles P-C4'-P energy: -82.035
tors. eta vs tors. theta energy: -189.466
Dist. restrs. and SS energy: 14.714 (S_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: 226
Temperature: 0.900000
Total energy: -2790.618416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.618416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.660408 (E_RNA)
where:
Base-Base interactions energy: -1965.037
where: short stacking energy: -809.294
Base-Backbone interact. energy: 3.862
local terms energy: -836.485587
where:
bonds (distance) C4'-P energy: -144.247
bonds (distance) P-C4' energy: -145.339
flat angles C4'-P-C4' energy: -168.604
flat angles P-C4'-P energy: -117.018
tors. eta vs tors. theta energy: -261.278
Dist. restrs. and SS energy: 7.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2708.854265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.854265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.632258 (E_RNA)
where:
Base-Base interactions energy: -1908.834
where: short stacking energy: -812.864
Base-Backbone interact. energy: -3.212
local terms energy: -808.585873
where:
bonds (distance) C4'-P energy: -144.213
bonds (distance) P-C4' energy: -127.834
flat angles C4'-P-C4' energy: -172.178
flat angles P-C4'-P energy: -114.187
tors. eta vs tors. theta energy: -250.174
Dist. restrs. and SS energy: 11.778 (S_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: 226
Temperature: 1.000000
Total energy: -2607.552228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.552228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.545712 (E_RNA)
where:
Base-Base interactions energy: -1841.916
where: short stacking energy: -750.220
Base-Backbone interact. energy: -1.080
local terms energy: -777.548762
where:
bonds (distance) C4'-P energy: -152.360
bonds (distance) P-C4' energy: -134.809
flat angles C4'-P-C4' energy: -155.307
flat angles P-C4'-P energy: -109.763
tors. eta vs tors. theta energy: -225.310
Dist. restrs. and SS energy: 12.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2503.367915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.367915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.082564 (E_RNA)
where:
Base-Base interactions energy: -1794.218
where: short stacking energy: -695.838
Base-Backbone interact. energy: -3.514
local terms energy: -714.350331
where:
bonds (distance) C4'-P energy: -118.854
bonds (distance) P-C4' energy: -125.970
flat angles C4'-P-C4' energy: -156.121
flat angles P-C4'-P energy: -106.037
tors. eta vs tors. theta energy: -207.368
Dist. restrs. and SS energy: 8.715 (S_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: -2498.790383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.790383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.055543 (E_RNA)
where:
Base-Base interactions energy: -1816.642
where: short stacking energy: -726.829
Base-Backbone interact. energy: 0.620
local terms energy: -693.033717
where:
bonds (distance) C4'-P energy: -107.214
bonds (distance) P-C4' energy: -116.114
flat angles C4'-P-C4' energy: -140.637
flat angles P-C4'-P energy: -108.801
tors. eta vs tors. theta energy: -220.267
Dist. restrs. and SS energy: 10.265 (S_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: 226
Temperature: 1.150000
Total energy: -2474.158214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.158214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.618974 (E_RNA)
where:
Base-Base interactions energy: -1747.715
where: short stacking energy: -684.836
Base-Backbone interact. energy: -1.071
local terms energy: -731.832899
where:
bonds (distance) C4'-P energy: -132.386
bonds (distance) P-C4' energy: -128.165
flat angles C4'-P-C4' energy: -159.116
flat angles P-C4'-P energy: -103.248
tors. eta vs tors. theta energy: -208.918
Dist. restrs. and SS energy: 6.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2314.954134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.954134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.766406 (E_RNA)
where:
Base-Base interactions energy: -1625.392
where: short stacking energy: -662.714
Base-Backbone interact. energy: -2.131
local terms energy: -694.243881
where:
bonds (distance) C4'-P energy: -130.573
bonds (distance) P-C4' energy: -111.067
flat angles C4'-P-C4' energy: -143.772
flat angles P-C4'-P energy: -95.865
tors. eta vs tors. theta energy: -212.966
Dist. restrs. and SS energy: 6.812 (S_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: -2180.661891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.661891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.104667 (E_RNA)
where:
Base-Base interactions energy: -1567.664
where: short stacking energy: -632.957
Base-Backbone interact. energy: -1.142
local terms energy: -619.299153
where:
bonds (distance) C4'-P energy: -106.119
bonds (distance) P-C4' energy: -116.843
flat angles C4'-P-C4' energy: -132.424
flat angles P-C4'-P energy: -76.029
tors. eta vs tors. theta energy: -187.884
Dist. restrs. and SS energy: 7.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -2126.995120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.995120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.258342 (E_RNA)
where:
Base-Base interactions energy: -1519.139
where: short stacking energy: -587.986
Base-Backbone interact. energy: -2.032
local terms energy: -615.087507
where:
bonds (distance) C4'-P energy: -115.276
bonds (distance) P-C4' energy: -114.103
flat angles C4'-P-C4' energy: -122.730
flat angles P-C4'-P energy: -87.082
tors. eta vs tors. theta energy: -175.897
Dist. restrs. and SS energy: 9.263 (S_DIST_RNA)
chem. 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: -2074.351906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.351906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.284348 (E_RNA)
where:
Base-Base interactions energy: -1501.655
where: short stacking energy: -606.734
Base-Backbone interact. energy: -2.986
local terms energy: -583.643560
where:
bonds (distance) C4'-P energy: -81.418
bonds (distance) P-C4' energy: -94.244
flat angles C4'-P-C4' energy: -134.309
flat angles P-C4'-P energy: -83.886
tors. eta vs tors. theta energy: -189.787
Dist. restrs. and SS energy: 13.932 (S_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: 227
Temperature: 0.900000
Total energy: -2793.933451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.933451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.667051 (E_RNA)
where:
Base-Base interactions energy: -1957.115
where: short stacking energy: -802.625
Base-Backbone interact. energy: -1.133
local terms energy: -843.419192
where:
bonds (distance) C4'-P energy: -154.026
bonds (distance) P-C4' energy: -146.774
flat angles C4'-P-C4' energy: -162.753
flat angles P-C4'-P energy: -124.297
tors. eta vs tors. theta energy: -255.570
Dist. restrs. and SS energy: 7.734 (S_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: 227
Temperature: 0.950000
Total energy: -2690.322434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.322434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.371959 (E_RNA)
where:
Base-Base interactions energy: -1901.320
where: short stacking energy: -797.811
Base-Backbone interact. energy: -0.386
local terms energy: -798.666541
where:
bonds (distance) C4'-P energy: -135.782
bonds (distance) P-C4' energy: -144.439
flat angles C4'-P-C4' energy: -157.871
flat angles P-C4'-P energy: -116.818
tors. eta vs tors. theta energy: -243.756
Dist. restrs. and SS energy: 10.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2582.753778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.753778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.656523 (E_RNA)
where:
Base-Base interactions energy: -1838.145
where: short stacking energy: -764.346
Base-Backbone interact. energy: -4.072
local terms energy: -754.439172
where:
bonds (distance) C4'-P energy: -118.916
bonds (distance) P-C4' energy: -136.958
flat angles C4'-P-C4' energy: -158.039
flat angles P-C4'-P energy: -103.892
tors. eta vs tors. theta energy: -236.634
Dist. restrs. and SS energy: 13.903 (S_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: 227
Temperature: 1.050000
Total energy: -2568.395419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.395419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.483653 (E_RNA)
where:
Base-Base interactions energy: -1810.258
where: short stacking energy: -745.083
Base-Backbone interact. energy: -2.859
local terms energy: -768.367264
where:
bonds (distance) C4'-P energy: -122.986
bonds (distance) P-C4' energy: -129.142
flat angles C4'-P-C4' energy: -163.868
flat angles P-C4'-P energy: -110.932
tors. eta vs tors. theta energy: -241.439
Dist. restrs. and SS energy: 13.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2505.369173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.369173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.860858 (E_RNA)
where:
Base-Base interactions energy: -1774.315
where: short stacking energy: -711.607
Base-Backbone interact. energy: 0.811
local terms energy: -744.356608
where:
bonds (distance) C4'-P energy: -132.679
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -157.942
flat angles P-C4'-P energy: -101.009
tors. eta vs tors. theta energy: -230.143
Dist. restrs. and SS energy: 12.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2387.615966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.615966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.256122 (E_RNA)
where:
Base-Base interactions energy: -1695.263
where: short stacking energy: -676.290
Base-Backbone interact. energy: -2.750
local terms energy: -697.242906
where:
bonds (distance) C4'-P energy: -121.619
bonds (distance) P-C4' energy: -143.639
flat angles C4'-P-C4' energy: -131.027
flat angles P-C4'-P energy: -81.751
tors. eta vs tors. theta energy: -219.207
Dist. restrs. and SS energy: 7.640 (S_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: 227
Temperature: 1.200000
Total energy: -2368.187192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.187192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.774932 (E_RNA)
where:
Base-Base interactions energy: -1677.721
where: short stacking energy: -694.610
Base-Backbone interact. energy: -2.563
local terms energy: -697.491531
where:
bonds (distance) C4'-P energy: -113.873
bonds (distance) P-C4' energy: -124.269
flat angles C4'-P-C4' energy: -145.015
flat angles P-C4'-P energy: -92.763
tors. eta vs tors. theta energy: -221.571
Dist. restrs. and SS energy: 9.588 (S_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: -2164.678369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.678369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.122361 (E_RNA)
where:
Base-Base interactions energy: -1557.419
where: short stacking energy: -607.669
Base-Backbone interact. energy: -2.929
local terms energy: -611.775099
where:
bonds (distance) C4'-P energy: -108.922
bonds (distance) P-C4' energy: -117.712
flat angles C4'-P-C4' energy: -125.193
flat angles P-C4'-P energy: -75.659
tors. eta vs tors. theta energy: -184.290
Dist. restrs. and SS energy: 7.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -2126.820824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.820824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.776817 (E_RNA)
where:
Base-Base interactions energy: -1492.598
where: short stacking energy: -610.329
Base-Backbone interact. energy: -3.982
local terms energy: -646.196917
where:
bonds (distance) C4'-P energy: -114.061
bonds (distance) P-C4' energy: -123.553
flat angles C4'-P-C4' energy: -129.660
flat angles P-C4'-P energy: -93.031
tors. eta vs tors. theta energy: -185.892
Dist. restrs. and SS energy: 15.956 (S_DIST_RNA)
chem. 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: -2070.028874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.028874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.252256 (E_RNA)
where:
Base-Base interactions energy: -1483.828
where: short stacking energy: -586.549
Base-Backbone interact. energy: -0.048
local terms energy: -593.376019
where:
bonds (distance) C4'-P energy: -97.180
bonds (distance) P-C4' energy: -99.625
flat angles C4'-P-C4' energy: -135.513
flat angles P-C4'-P energy: -87.620
tors. eta vs tors. theta energy: -173.439
Dist. restrs. and SS energy: 7.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2775.124467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.124467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.941568 (E_RNA)
where:
Base-Base interactions energy: -1987.052
where: short stacking energy: -781.436
Base-Backbone interact. energy: -3.555
local terms energy: -792.333841
where:
bonds (distance) C4'-P energy: -125.806
bonds (distance) P-C4' energy: -143.335
flat angles C4'-P-C4' energy: -162.883
flat angles P-C4'-P energy: -114.762
tors. eta vs tors. theta energy: -245.548
Dist. restrs. and SS energy: 7.817 (S_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: 228
Temperature: 0.950000
Total energy: -2690.123385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.123385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.171458 (E_RNA)
where:
Base-Base interactions energy: -1881.910
where: short stacking energy: -769.234
Base-Backbone interact. energy: 1.213
local terms energy: -818.474750
where:
bonds (distance) C4'-P energy: -131.539
bonds (distance) P-C4' energy: -141.732
flat angles C4'-P-C4' energy: -169.617
flat angles P-C4'-P energy: -133.148
tors. eta vs tors. theta energy: -242.439
Dist. restrs. and SS energy: 9.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2613.289719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.289719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.798101 (E_RNA)
where:
Base-Base interactions energy: -1837.244
where: short stacking energy: -740.668
Base-Backbone interact. energy: -0.538
local terms energy: -786.016043
where:
bonds (distance) C4'-P energy: -128.514
bonds (distance) P-C4' energy: -141.676
flat angles C4'-P-C4' energy: -165.215
flat angles P-C4'-P energy: -118.825
tors. eta vs tors. theta energy: -231.787
Dist. restrs. and SS energy: 10.508 (S_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: 228
Temperature: 1.050000
Total energy: -2539.664677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.664677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.766583 (E_RNA)
where:
Base-Base interactions energy: -1803.105
where: short stacking energy: -731.949
Base-Backbone interact. energy: -2.446
local terms energy: -749.214968
where:
bonds (distance) C4'-P energy: -120.875
bonds (distance) P-C4' energy: -121.405
flat angles C4'-P-C4' energy: -166.202
flat angles P-C4'-P energy: -114.122
tors. eta vs tors. theta energy: -226.610
Dist. restrs. and SS energy: 15.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2485.742230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.742230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.793895 (E_RNA)
where:
Base-Base interactions energy: -1780.334
where: short stacking energy: -720.475
Base-Backbone interact. energy: -2.139
local terms energy: -715.320311
where:
bonds (distance) C4'-P energy: -123.855
bonds (distance) P-C4' energy: -131.798
flat angles C4'-P-C4' energy: -142.395
flat angles P-C4'-P energy: -95.679
tors. eta vs tors. theta energy: -221.593
Dist. restrs. and SS energy: 12.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2439.640399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.640399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.245019 (E_RNA)
where:
Base-Base interactions energy: -1698.898
where: short stacking energy: -681.322
Base-Backbone interact. energy: -2.334
local terms energy: -742.013246
where:
bonds (distance) C4'-P energy: -135.781
bonds (distance) P-C4' energy: -128.338
flat angles C4'-P-C4' energy: -144.176
flat angles P-C4'-P energy: -115.216
tors. eta vs tors. theta energy: -218.501
Dist. restrs. and SS energy: 3.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2379.757592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.757592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.048050 (E_RNA)
where:
Base-Base interactions energy: -1699.124
where: short stacking energy: -696.922
Base-Backbone interact. energy: -2.881
local terms energy: -684.042467
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -115.167
flat angles C4'-P-C4' energy: -157.168
flat angles P-C4'-P energy: -71.893
tors. eta vs tors. theta energy: -225.661
Dist. restrs. and SS energy: 6.290 (S_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: -2212.460078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.460078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.733586 (E_RNA)
where:
Base-Base interactions energy: -1578.555
where: short stacking energy: -626.435
Base-Backbone interact. energy: -3.658
local terms energy: -646.520340
where:
bonds (distance) C4'-P energy: -126.058
bonds (distance) P-C4' energy: -113.367
flat angles C4'-P-C4' energy: -133.158
flat angles P-C4'-P energy: -81.088
tors. eta vs tors. theta energy: -192.850
Dist. restrs. and SS energy: 16.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -2120.532809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.532809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.206192 (E_RNA)
where:
Base-Base interactions energy: -1521.471
where: short stacking energy: -599.544
Base-Backbone interact. energy: -4.207
local terms energy: -608.527472
where:
bonds (distance) C4'-P energy: -84.026
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -138.742
flat angles P-C4'-P energy: -81.390
tors. eta vs tors. theta energy: -185.612
Dist. restrs. and SS energy: 13.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -2107.620966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.620966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.709470 (E_RNA)
where:
Base-Base interactions energy: -1525.862
where: short stacking energy: -602.970
Base-Backbone interact. energy: -0.293
local terms energy: -590.554286
where:
bonds (distance) C4'-P energy: -108.310
bonds (distance) P-C4' energy: -91.845
flat angles C4'-P-C4' energy: -131.789
flat angles P-C4'-P energy: -70.581
tors. eta vs tors. theta energy: -188.029
Dist. restrs. and SS energy: 9.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2783.257884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.257884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.203650 (E_RNA)
where:
Base-Base interactions energy: -1963.514
where: short stacking energy: -788.924
Base-Backbone interact. energy: 0.092
local terms energy: -826.781433
where:
bonds (distance) C4'-P energy: -139.743
bonds (distance) P-C4' energy: -146.140
flat angles C4'-P-C4' energy: -179.001
flat angles P-C4'-P energy: -117.491
tors. eta vs tors. theta energy: -244.407
Dist. restrs. and SS energy: 6.946 (S_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: 229
Temperature: 0.950000
Total energy: -2717.946657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.946657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.421446 (E_RNA)
where:
Base-Base interactions energy: -1915.137
where: short stacking energy: -791.226
Base-Backbone interact. energy: -1.691
local terms energy: -811.593135
where:
bonds (distance) C4'-P energy: -124.999
bonds (distance) P-C4' energy: -144.307
flat angles C4'-P-C4' energy: -171.263
flat angles P-C4'-P energy: -113.370
tors. eta vs tors. theta energy: -257.655
Dist. restrs. and SS energy: 10.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2626.790042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.790042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.348971 (E_RNA)
where:
Base-Base interactions energy: -1889.669
where: short stacking energy: -775.814
Base-Backbone interact. energy: -2.287
local terms energy: -746.392653
where:
bonds (distance) C4'-P energy: -124.861
bonds (distance) P-C4' energy: -115.340
flat angles C4'-P-C4' energy: -147.673
flat angles P-C4'-P energy: -132.280
tors. eta vs tors. theta energy: -226.239
Dist. restrs. and SS energy: 11.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2529.174153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.174153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.721127 (E_RNA)
where:
Base-Base interactions energy: -1826.972
where: short stacking energy: -717.640
Base-Backbone interact. energy: -1.098
local terms energy: -709.650827
where:
bonds (distance) C4'-P energy: -113.089
bonds (distance) P-C4' energy: -119.515
flat angles C4'-P-C4' energy: -159.679
flat angles P-C4'-P energy: -98.254
tors. eta vs tors. theta energy: -219.114
Dist. restrs. and SS energy: 8.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2488.662159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.662159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.922539 (E_RNA)
where:
Base-Base interactions energy: -1765.340
where: short stacking energy: -698.457
Base-Backbone interact. energy: -1.897
local terms energy: -731.685011
where:
bonds (distance) C4'-P energy: -120.776
bonds (distance) P-C4' energy: -135.812
flat angles C4'-P-C4' energy: -153.717
flat angles P-C4'-P energy: -99.971
tors. eta vs tors. theta energy: -221.410
Dist. restrs. and SS energy: 10.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2428.734638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.734638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.753105 (E_RNA)
where:
Base-Base interactions energy: -1710.910
where: short stacking energy: -696.257
Base-Backbone interact. energy: -0.661
local terms energy: -724.182748
where:
bonds (distance) C4'-P energy: -140.702
bonds (distance) P-C4' energy: -128.592
flat angles C4'-P-C4' energy: -139.640
flat angles P-C4'-P energy: -101.004
tors. eta vs tors. theta energy: -214.245
Dist. restrs. and SS energy: 7.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -2357.618485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.618485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.636478 (E_RNA)
where:
Base-Base interactions energy: -1694.081
where: short stacking energy: -670.350
Base-Backbone interact. energy: 2.748
local terms energy: -673.304110
where:
bonds (distance) C4'-P energy: -107.332
bonds (distance) P-C4' energy: -113.174
flat angles C4'-P-C4' energy: -142.528
flat angles P-C4'-P energy: -94.211
tors. eta vs tors. theta energy: -216.058
Dist. restrs. and SS energy: 7.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2174.040742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.040742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.317605 (E_RNA)
where:
Base-Base interactions energy: -1556.694
where: short stacking energy: -619.807
Base-Backbone interact. energy: 2.420
local terms energy: -633.043584
where:
bonds (distance) C4'-P energy: -124.530
bonds (distance) P-C4' energy: -114.951
flat angles C4'-P-C4' energy: -131.748
flat angles P-C4'-P energy: -72.717
tors. eta vs tors. theta energy: -189.097
Dist. restrs. and SS energy: 13.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -2133.694229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.694229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.303320 (E_RNA)
where:
Base-Base interactions energy: -1520.720
where: short stacking energy: -604.802
Base-Backbone interact. energy: -0.123
local terms energy: -622.460919
where:
bonds (distance) C4'-P energy: -103.721
bonds (distance) P-C4' energy: -114.493
flat angles C4'-P-C4' energy: -138.190
flat angles P-C4'-P energy: -75.860
tors. eta vs tors. theta energy: -190.196
Dist. restrs. and SS energy: 9.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -2102.787251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.787251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.283699 (E_RNA)
where:
Base-Base interactions energy: -1504.394
where: short stacking energy: -577.127
Base-Backbone interact. energy: -4.635
local terms energy: -600.254628
where:
bonds (distance) C4'-P energy: -99.568
bonds (distance) P-C4' energy: -104.124
flat angles C4'-P-C4' energy: -128.787
flat angles P-C4'-P energy: -81.187
tors. eta vs tors. theta energy: -186.589
Dist. restrs. and SS energy: 6.496 (S_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: 230
Temperature: 0.900000
Total energy: -2788.241416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.241416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.182984 (E_RNA)
where:
Base-Base interactions energy: -1974.521
where: short stacking energy: -808.781
Base-Backbone interact. energy: -1.698
local terms energy: -818.964029
where:
bonds (distance) C4'-P energy: -127.333
bonds (distance) P-C4' energy: -151.798
flat angles C4'-P-C4' energy: -177.052
flat angles P-C4'-P energy: -113.662
tors. eta vs tors. theta energy: -249.119
Dist. restrs. and SS energy: 6.942 (S_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: 230
Temperature: 0.950000
Total energy: -2714.483592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.483592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.393311 (E_RNA)
where:
Base-Base interactions energy: -1922.140
where: short stacking energy: -791.350
Base-Backbone interact. energy: -2.513
local terms energy: -798.739729
where:
bonds (distance) C4'-P energy: -139.196
bonds (distance) P-C4' energy: -135.708
flat angles C4'-P-C4' energy: -165.269
flat angles P-C4'-P energy: -112.880
tors. eta vs tors. theta energy: -245.687
Dist. restrs. and SS energy: 8.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2607.476718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.476718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.139237 (E_RNA)
where:
Base-Base interactions energy: -1870.321
where: short stacking energy: -745.986
Base-Backbone interact. energy: -1.343
local terms energy: -746.475017
where:
bonds (distance) C4'-P energy: -136.385
bonds (distance) P-C4' energy: -124.492
flat angles C4'-P-C4' energy: -156.743
flat angles P-C4'-P energy: -100.671
tors. eta vs tors. theta energy: -228.183
Dist. restrs. and SS energy: 10.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2553.471939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.471939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.188832 (E_RNA)
where:
Base-Base interactions energy: -1803.547
where: short stacking energy: -733.676
Base-Backbone interact. energy: 0.736
local terms energy: -763.378300
where:
bonds (distance) C4'-P energy: -137.068
bonds (distance) P-C4' energy: -140.088
flat angles C4'-P-C4' energy: -154.548
flat angles P-C4'-P energy: -110.632
tors. eta vs tors. theta energy: -221.042
Dist. restrs. and SS energy: 12.717 (S_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: 230
Temperature: 1.100000
Total energy: -2522.310204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.310204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.219786 (E_RNA)
where:
Base-Base interactions energy: -1768.724
where: short stacking energy: -731.233
Base-Backbone interact. energy: -3.636
local terms energy: -754.860201
where:
bonds (distance) C4'-P energy: -121.906
bonds (distance) P-C4' energy: -134.265
flat angles C4'-P-C4' energy: -167.436
flat angles P-C4'-P energy: -105.756
tors. eta vs tors. theta energy: -225.498
Dist. restrs. and SS energy: 4.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2421.198430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.198430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.886768 (E_RNA)
where:
Base-Base interactions energy: -1733.435
where: short stacking energy: -693.125
Base-Backbone interact. energy: -2.475
local terms energy: -692.976925
where:
bonds (distance) C4'-P energy: -116.464
bonds (distance) P-C4' energy: -114.496
flat angles C4'-P-C4' energy: -148.232
flat angles P-C4'-P energy: -96.082
tors. eta vs tors. theta energy: -217.702
Dist. restrs. and SS energy: 7.688 (S_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: 230
Temperature: 1.200000
Total energy: -2426.978199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.978199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.549299 (E_RNA)
where:
Base-Base interactions energy: -1728.567
where: short stacking energy: -729.166
Base-Backbone interact. energy: -0.014
local terms energy: -710.967904
where:
bonds (distance) C4'-P energy: -111.619
bonds (distance) P-C4' energy: -115.687
flat angles C4'-P-C4' energy: -149.370
flat angles P-C4'-P energy: -95.198
tors. eta vs tors. theta energy: -239.094
Dist. restrs. and SS energy: 12.571 (S_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: 230
Temperature: 1.250000
Total energy: -2225.870335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.870335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.665449 (E_RNA)
where:
Base-Base interactions energy: -1588.077
where: short stacking energy: -653.247
Base-Backbone interact. energy: 1.364
local terms energy: -649.952909
where:
bonds (distance) C4'-P energy: -104.513
bonds (distance) P-C4' energy: -106.597
flat angles C4'-P-C4' energy: -149.271
flat angles P-C4'-P energy: -87.355
tors. eta vs tors. theta energy: -202.218
Dist. restrs. and SS energy: 10.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -2160.497522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.497522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.087446 (E_RNA)
where:
Base-Base interactions energy: -1564.871
where: short stacking energy: -610.126
Base-Backbone interact. energy: -2.192
local terms energy: -603.024596
where:
bonds (distance) C4'-P energy: -91.417
bonds (distance) P-C4' energy: -103.923
flat angles C4'-P-C4' energy: -130.600
flat angles P-C4'-P energy: -88.072
tors. eta vs tors. theta energy: -189.013
Dist. restrs. and SS energy: 9.590 (S_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: 230
Temperature: 1.350000
Total energy: -2069.095661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.095661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.638668 (E_RNA)
where:
Base-Base interactions energy: -1451.226
where: short stacking energy: -571.345
Base-Backbone interact. energy: -0.039
local terms energy: -629.374464
where:
bonds (distance) C4'-P energy: -120.062
bonds (distance) P-C4' energy: -122.596
flat angles C4'-P-C4' energy: -124.177
flat angles P-C4'-P energy: -81.744
tors. eta vs tors. theta energy: -180.795
Dist. restrs. and SS energy: 11.543 (S_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: 231
Temperature: 0.900000
Total energy: -2777.385787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.385787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.509424 (E_RNA)
where:
Base-Base interactions energy: -1978.015
where: short stacking energy: -798.270
Base-Backbone interact. energy: -1.361
local terms energy: -805.132918
where:
bonds (distance) C4'-P energy: -135.444
bonds (distance) P-C4' energy: -134.072
flat angles C4'-P-C4' energy: -163.443
flat angles P-C4'-P energy: -124.532
tors. eta vs tors. theta energy: -247.642
Dist. restrs. and SS energy: 7.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2705.329183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.329183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.645043 (E_RNA)
where:
Base-Base interactions energy: -1906.854
where: short stacking energy: -790.408
Base-Backbone interact. energy: -0.678
local terms energy: -809.112484
where:
bonds (distance) C4'-P energy: -144.201
bonds (distance) P-C4' energy: -133.276
flat angles C4'-P-C4' energy: -160.799
flat angles P-C4'-P energy: -118.803
tors. eta vs tors. theta energy: -252.033
Dist. restrs. and SS energy: 11.316 (S_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: 231
Temperature: 1.000000
Total energy: -2604.645229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.645229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.385547 (E_RNA)
where:
Base-Base interactions energy: -1844.618
where: short stacking energy: -754.014
Base-Backbone interact. energy: -0.492
local terms energy: -771.274874
where:
bonds (distance) C4'-P energy: -138.305
bonds (distance) P-C4' energy: -138.696
flat angles C4'-P-C4' energy: -154.149
flat angles P-C4'-P energy: -109.912
tors. eta vs tors. theta energy: -230.213
Dist. restrs. and SS energy: 11.740 (S_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: 231
Temperature: 1.050000
Total energy: -2556.989554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.989554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.073796 (E_RNA)
where:
Base-Base interactions energy: -1794.833
where: short stacking energy: -735.377
Base-Backbone interact. energy: -1.610
local terms energy: -773.630688
where:
bonds (distance) C4'-P energy: -136.356
bonds (distance) P-C4' energy: -133.440
flat angles C4'-P-C4' energy: -157.177
flat angles P-C4'-P energy: -119.689
tors. eta vs tors. theta energy: -226.968
Dist. restrs. and SS energy: 13.084 (S_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: 231
Temperature: 1.100000
Total energy: -2524.666297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.666297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.364393 (E_RNA)
where:
Base-Base interactions energy: -1765.469
where: short stacking energy: -735.959
Base-Backbone interact. energy: -2.509
local terms energy: -764.387129
where:
bonds (distance) C4'-P energy: -145.372
bonds (distance) P-C4' energy: -123.049
flat angles C4'-P-C4' energy: -155.181
flat angles P-C4'-P energy: -102.031
tors. eta vs tors. theta energy: -238.754
Dist. restrs. and SS energy: 7.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2393.364891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.364891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.341721 (E_RNA)
where:
Base-Base interactions energy: -1710.032
where: short stacking energy: -668.002
Base-Backbone interact. energy: -2.993
local terms energy: -689.316400
where:
bonds (distance) C4'-P energy: -131.352
bonds (distance) P-C4' energy: -122.958
flat angles C4'-P-C4' energy: -133.147
flat angles P-C4'-P energy: -90.635
tors. eta vs tors. theta energy: -211.224
Dist. restrs. and SS energy: 8.977 (S_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: 231
Temperature: 1.200000
Total energy: -2339.849857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.849857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.310904 (E_RNA)
where:
Base-Base interactions energy: -1661.973
where: short stacking energy: -672.057
Base-Backbone interact. energy: 1.574
local terms energy: -686.911806
where:
bonds (distance) C4'-P energy: -128.715
bonds (distance) P-C4' energy: -113.431
flat angles C4'-P-C4' energy: -138.086
flat angles P-C4'-P energy: -90.070
tors. eta vs tors. theta energy: -216.609
Dist. restrs. and SS energy: 7.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -2200.487717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.487717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.092364 (E_RNA)
where:
Base-Base interactions energy: -1557.813
where: short stacking energy: -624.568
Base-Backbone interact. energy: -1.015
local terms energy: -652.264492
where:
bonds (distance) C4'-P energy: -91.751
bonds (distance) P-C4' energy: -134.786
flat angles C4'-P-C4' energy: -142.617
flat angles P-C4'-P energy: -88.406
tors. eta vs tors. theta energy: -194.704
Dist. restrs. and SS energy: 10.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -2211.534165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.534165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.932351 (E_RNA)
where:
Base-Base interactions energy: -1591.434
where: short stacking energy: -624.780
Base-Backbone interact. energy: -2.826
local terms energy: -636.672009
where:
bonds (distance) C4'-P energy: -112.716
bonds (distance) P-C4' energy: -108.732
flat angles C4'-P-C4' energy: -129.061
flat angles P-C4'-P energy: -92.037
tors. eta vs tors. theta energy: -194.125
Dist. restrs. and SS energy: 19.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -2040.808351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.808351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.055197 (E_RNA)
where:
Base-Base interactions energy: -1446.030
where: short stacking energy: -579.860
Base-Backbone interact. energy: -0.035
local terms energy: -602.990469
where:
bonds (distance) C4'-P energy: -98.983
bonds (distance) P-C4' energy: -114.359
flat angles C4'-P-C4' energy: -121.706
flat angles P-C4'-P energy: -77.897
tors. eta vs tors. theta energy: -190.046
Dist. restrs. and SS energy: 8.247 (S_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: 232
Temperature: 0.900000
Total energy: -2795.625259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.625259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.373321 (E_RNA)
where:
Base-Base interactions energy: -1984.469
where: short stacking energy: -798.560
Base-Backbone interact. energy: -1.509
local terms energy: -815.395416
where:
bonds (distance) C4'-P energy: -137.190
bonds (distance) P-C4' energy: -152.639
flat angles C4'-P-C4' energy: -164.743
flat angles P-C4'-P energy: -119.096
tors. eta vs tors. theta energy: -241.728
Dist. restrs. and SS energy: 5.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2707.359704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.359704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.888818 (E_RNA)
where:
Base-Base interactions energy: -1939.950
where: short stacking energy: -782.286
Base-Backbone interact. energy: -1.925
local terms energy: -775.014227
where:
bonds (distance) C4'-P energy: -123.242
bonds (distance) P-C4' energy: -135.305
flat angles C4'-P-C4' energy: -152.856
flat angles P-C4'-P energy: -116.630
tors. eta vs tors. theta energy: -246.982
Dist. restrs. and SS energy: 9.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2592.201139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.201139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.790292 (E_RNA)
where:
Base-Base interactions energy: -1831.136
where: short stacking energy: -725.269
Base-Backbone interact. energy: -2.575
local terms energy: -771.078990
where:
bonds (distance) C4'-P energy: -138.031
bonds (distance) P-C4' energy: -137.449
flat angles C4'-P-C4' energy: -159.884
flat angles P-C4'-P energy: -111.325
tors. eta vs tors. theta energy: -224.390
Dist. restrs. and SS energy: 12.589 (S_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: 232
Temperature: 1.050000
Total energy: -2566.492276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.492276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.925870 (E_RNA)
where:
Base-Base interactions energy: -1852.665
where: short stacking energy: -776.417
Base-Backbone interact. energy: 1.092
local terms energy: -726.352807
where:
bonds (distance) C4'-P energy: -120.370
bonds (distance) P-C4' energy: -105.407
flat angles C4'-P-C4' energy: -169.933
flat angles P-C4'-P energy: -103.198
tors. eta vs tors. theta energy: -227.445
Dist. restrs. and SS energy: 11.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2492.562843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.562843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.845731 (E_RNA)
where:
Base-Base interactions energy: -1750.790
where: short stacking energy: -703.893
Base-Backbone interact. energy: -2.328
local terms energy: -745.728050
where:
bonds (distance) C4'-P energy: -138.421
bonds (distance) P-C4' energy: -126.861
flat angles C4'-P-C4' energy: -156.037
flat angles P-C4'-P energy: -111.673
tors. eta vs tors. theta energy: -212.736
Dist. restrs. and SS energy: 6.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2364.822827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.822827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.435078 (E_RNA)
where:
Base-Base interactions energy: -1679.764
where: short stacking energy: -680.139
Base-Backbone interact. energy: -2.526
local terms energy: -693.145473
where:
bonds (distance) C4'-P energy: -109.522
bonds (distance) P-C4' energy: -118.140
flat angles C4'-P-C4' energy: -155.539
flat angles P-C4'-P energy: -93.340
tors. eta vs tors. theta energy: -216.605
Dist. restrs. and SS energy: 10.612 (S_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: 232
Temperature: 1.200000
Total energy: -2314.281070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.281070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.659072 (E_RNA)
where:
Base-Base interactions energy: -1642.279
where: short stacking energy: -638.172
Base-Backbone interact. energy: -3.007
local terms energy: -677.373316
where:
bonds (distance) C4'-P energy: -115.385
bonds (distance) P-C4' energy: -113.008
flat angles C4'-P-C4' energy: -148.951
flat angles P-C4'-P energy: -99.088
tors. eta vs tors. theta energy: -200.941
Dist. restrs. and SS energy: 8.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2267.479193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.479193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.204482 (E_RNA)
where:
Base-Base interactions energy: -1615.941
where: short stacking energy: -662.828
Base-Backbone interact. energy: -1.224
local terms energy: -658.040012
where:
bonds (distance) C4'-P energy: -106.530
bonds (distance) P-C4' energy: -121.396
flat angles C4'-P-C4' energy: -148.047
flat angles P-C4'-P energy: -88.148
tors. eta vs tors. theta energy: -193.919
Dist. restrs. and SS energy: 7.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -2198.414065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.414065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.347032 (E_RNA)
where:
Base-Base interactions energy: -1569.172
where: short stacking energy: -628.802
Base-Backbone interact. energy: -1.888
local terms energy: -635.286380
where:
bonds (distance) C4'-P energy: -102.242
bonds (distance) P-C4' energy: -104.527
flat angles C4'-P-C4' energy: -147.903
flat angles P-C4'-P energy: -85.375
tors. eta vs tors. theta energy: -195.240
Dist. restrs. and SS energy: 7.933 (S_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: 232
Temperature: 1.350000
Total energy: -2095.661597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.661597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.460551 (E_RNA)
where:
Base-Base interactions energy: -1507.802
where: short stacking energy: -607.142
Base-Backbone interact. energy: -0.089
local terms energy: -600.569568
where:
bonds (distance) C4'-P energy: -103.336
bonds (distance) P-C4' energy: -103.470
flat angles C4'-P-C4' energy: -118.184
flat angles P-C4'-P energy: -95.093
tors. eta vs tors. theta energy: -180.486
Dist. restrs. and SS energy: 12.799 (S_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: 233
Temperature: 0.900000
Total energy: -2780.328945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.328945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.546526 (E_RNA)
where:
Base-Base interactions energy: -1980.043
where: short stacking energy: -803.914
Base-Backbone interact. energy: -2.618
local terms energy: -803.885174
where:
bonds (distance) C4'-P energy: -130.771
bonds (distance) P-C4' energy: -148.328
flat angles C4'-P-C4' energy: -164.190
flat angles P-C4'-P energy: -112.754
tors. eta vs tors. theta energy: -247.842
Dist. restrs. and SS energy: 6.218 (S_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: 233
Temperature: 0.950000
Total energy: -2696.048325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.048325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.081434 (E_RNA)
where:
Base-Base interactions energy: -1888.983
where: short stacking energy: -770.538
Base-Backbone interact. energy: -2.712
local terms energy: -815.386218
where:
bonds (distance) C4'-P energy: -143.203
bonds (distance) P-C4' energy: -140.850
flat angles C4'-P-C4' energy: -164.541
flat angles P-C4'-P energy: -116.094
tors. eta vs tors. theta energy: -250.698
Dist. restrs. and SS energy: 11.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2616.328881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.328881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.522381 (E_RNA)
where:
Base-Base interactions energy: -1863.221
where: short stacking energy: -753.923
Base-Backbone interact. energy: -3.043
local terms energy: -764.258477
where:
bonds (distance) C4'-P energy: -131.878
bonds (distance) P-C4' energy: -130.136
flat angles C4'-P-C4' energy: -168.528
flat angles P-C4'-P energy: -101.133
tors. eta vs tors. theta energy: -232.583
Dist. restrs. and SS energy: 14.193 (S_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: 233
Temperature: 1.050000
Total energy: -2546.490004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.490004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.807349 (E_RNA)
where:
Base-Base interactions energy: -1812.782
where: short stacking energy: -734.942
Base-Backbone interact. energy: -2.187
local terms energy: -743.838526
where:
bonds (distance) C4'-P energy: -134.601
bonds (distance) P-C4' energy: -126.027
flat angles C4'-P-C4' energy: -146.704
flat angles P-C4'-P energy: -102.449
tors. eta vs tors. theta energy: -234.057
Dist. restrs. and SS energy: 12.317 (S_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: 233
Temperature: 1.100000
Total energy: -2512.586377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.586377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.488951 (E_RNA)
where:
Base-Base interactions energy: -1776.958
where: short stacking energy: -738.303
Base-Backbone interact. energy: -2.823
local terms energy: -739.708288
where:
bonds (distance) C4'-P energy: -130.201
bonds (distance) P-C4' energy: -121.586
flat angles C4'-P-C4' energy: -160.005
flat angles P-C4'-P energy: -106.110
tors. eta vs tors. theta energy: -221.806
Dist. restrs. and SS energy: 6.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2413.419110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.419110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.819749 (E_RNA)
where:
Base-Base interactions energy: -1724.567
where: short stacking energy: -698.514
Base-Backbone interact. energy: -0.802
local terms energy: -701.451100
where:
bonds (distance) C4'-P energy: -121.724
bonds (distance) P-C4' energy: -134.588
flat angles C4'-P-C4' energy: -137.373
flat angles P-C4'-P energy: -102.741
tors. eta vs tors. theta energy: -205.024
Dist. restrs. and SS energy: 13.401 (S_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: -2299.512626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.512626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.352966 (E_RNA)
where:
Base-Base interactions energy: -1628.608
where: short stacking energy: -655.235
Base-Backbone interact. energy: -1.505
local terms energy: -676.239955
where:
bonds (distance) C4'-P energy: -109.698
bonds (distance) P-C4' energy: -108.167
flat angles C4'-P-C4' energy: -145.316
flat angles P-C4'-P energy: -97.362
tors. eta vs tors. theta energy: -215.697
Dist. restrs. and SS energy: 6.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2235.490596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.490596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.318568 (E_RNA)
where:
Base-Base interactions energy: -1589.830
where: short stacking energy: -643.658
Base-Backbone interact. energy: -2.398
local terms energy: -654.090322
where:
bonds (distance) C4'-P energy: -105.994
bonds (distance) P-C4' energy: -124.962
flat angles C4'-P-C4' energy: -131.077
flat angles P-C4'-P energy: -87.624
tors. eta vs tors. theta energy: -204.434
Dist. restrs. and SS energy: 10.828 (S_DIST_RNA)
chem. 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: -2197.168367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.168367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.843866 (E_RNA)
where:
Base-Base interactions energy: -1575.807
where: short stacking energy: -638.253
Base-Backbone interact. energy: -1.892
local terms energy: -624.144886
where:
bonds (distance) C4'-P energy: -113.927
bonds (distance) P-C4' energy: -100.995
flat angles C4'-P-C4' energy: -132.019
flat angles P-C4'-P energy: -79.078
tors. eta vs tors. theta energy: -198.126
Dist. restrs. and SS energy: 4.675 (S_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: 233
Temperature: 1.350000
Total energy: -1989.123412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.123412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.550036 (E_RNA)
where:
Base-Base interactions energy: -1435.520
where: short stacking energy: -575.017
Base-Backbone interact. energy: 0.124
local terms energy: -572.154053
where:
bonds (distance) C4'-P energy: -88.663
bonds (distance) P-C4' energy: -114.787
flat angles C4'-P-C4' energy: -131.760
flat angles P-C4'-P energy: -60.330
tors. eta vs tors. theta energy: -176.614
Dist. restrs. and SS energy: 18.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2789.022151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.022151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.554805 (E_RNA)
where:
Base-Base interactions energy: -1964.469
where: short stacking energy: -822.292
Base-Backbone interact. energy: -1.529
local terms energy: -828.557057
where:
bonds (distance) C4'-P energy: -141.861
bonds (distance) P-C4' energy: -141.966
flat angles C4'-P-C4' energy: -173.378
flat angles P-C4'-P energy: -118.794
tors. eta vs tors. theta energy: -252.558
Dist. restrs. and SS energy: 5.533 (S_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: 234
Temperature: 0.950000
Total energy: -2670.822982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.822982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.106807 (E_RNA)
where:
Base-Base interactions energy: -1886.820
where: short stacking energy: -770.498
Base-Backbone interact. energy: -4.146
local terms energy: -791.141295
where:
bonds (distance) C4'-P energy: -129.795
bonds (distance) P-C4' energy: -128.432
flat angles C4'-P-C4' energy: -160.254
flat angles P-C4'-P energy: -125.317
tors. eta vs tors. theta energy: -247.343
Dist. restrs. and SS energy: 11.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2615.938659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.938659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.826268 (E_RNA)
where:
Base-Base interactions energy: -1858.886
where: short stacking energy: -759.814
Base-Backbone interact. energy: -4.585
local terms energy: -766.355837
where:
bonds (distance) C4'-P energy: -135.502
bonds (distance) P-C4' energy: -145.862
flat angles C4'-P-C4' energy: -158.236
flat angles P-C4'-P energy: -102.260
tors. eta vs tors. theta energy: -224.496
Dist. restrs. and SS energy: 13.888 (S_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: 234
Temperature: 1.050000
Total energy: -2574.275480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.734106 (E_RNA)
where:
Base-Base interactions energy: -1826.111
where: short stacking energy: -768.985
Base-Backbone interact. energy: -1.041
local terms energy: -757.582594
where:
bonds (distance) C4'-P energy: -134.180
bonds (distance) P-C4' energy: -136.914
flat angles C4'-P-C4' energy: -149.471
flat angles P-C4'-P energy: -101.451
tors. eta vs tors. theta energy: -235.566
Dist. restrs. and SS energy: 10.459 (S_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: 234
Temperature: 1.100000
Total energy: -2513.584350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.584350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.991461 (E_RNA)
where:
Base-Base interactions energy: -1793.914
where: short stacking energy: -708.339
Base-Backbone interact. energy: 2.050
local terms energy: -728.127845
where:
bonds (distance) C4'-P energy: -137.530
bonds (distance) P-C4' energy: -131.462
flat angles C4'-P-C4' energy: -140.852
flat angles P-C4'-P energy: -101.870
tors. eta vs tors. theta energy: -216.414
Dist. restrs. and SS energy: 6.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2426.322413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.322413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.157374 (E_RNA)
where:
Base-Base interactions energy: -1723.376
where: short stacking energy: -706.290
Base-Backbone interact. energy: -3.571
local terms energy: -707.210770
where:
bonds (distance) C4'-P energy: -134.369
bonds (distance) P-C4' energy: -111.890
flat angles C4'-P-C4' energy: -142.248
flat angles P-C4'-P energy: -97.602
tors. eta vs tors. theta energy: -221.102
Dist. restrs. and SS energy: 7.835 (S_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: -2324.697460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.697460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.946612 (E_RNA)
where:
Base-Base interactions energy: -1640.015
where: short stacking energy: -646.336
Base-Backbone interact. energy: -0.688
local terms energy: -688.243630
where:
bonds (distance) C4'-P energy: -109.883
bonds (distance) P-C4' energy: -126.792
flat angles C4'-P-C4' energy: -150.439
flat angles P-C4'-P energy: -99.526
tors. eta vs tors. theta energy: -201.603
Dist. restrs. and SS energy: 4.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2226.260371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.260371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.554643 (E_RNA)
where:
Base-Base interactions energy: -1604.433
where: short stacking energy: -638.042
Base-Backbone interact. energy: -3.843
local terms energy: -631.278458
where:
bonds (distance) C4'-P energy: -118.448
bonds (distance) P-C4' energy: -96.650
flat angles C4'-P-C4' energy: -138.682
flat angles P-C4'-P energy: -87.592
tors. eta vs tors. theta energy: -189.907
Dist. restrs. and SS energy: 13.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -2186.805386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.805386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.808411 (E_RNA)
where:
Base-Base interactions energy: -1601.494
where: short stacking energy: -630.714
Base-Backbone interact. energy: -2.401
local terms energy: -600.913607
where:
bonds (distance) C4'-P energy: -98.873
bonds (distance) P-C4' energy: -95.368
flat angles C4'-P-C4' energy: -133.276
flat angles P-C4'-P energy: -91.865
tors. eta vs tors. theta energy: -181.532
Dist. restrs. and SS energy: 18.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -2034.039215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.039215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.638449 (E_RNA)
where:
Base-Base interactions energy: -1464.002
where: short stacking energy: -563.452
Base-Backbone interact. energy: -2.659
local terms energy: -576.977170
where:
bonds (distance) C4'-P energy: -96.892
bonds (distance) P-C4' energy: -103.605
flat angles C4'-P-C4' energy: -114.146
flat angles P-C4'-P energy: -84.404
tors. eta vs tors. theta energy: -177.931
Dist. restrs. and SS energy: 9.599 (S_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: 235
Temperature: 0.900000
Total energy: -2805.132791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.132791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.379992 (E_RNA)
where:
Base-Base interactions energy: -1978.327
where: short stacking energy: -793.114
Base-Backbone interact. energy: -0.726
local terms energy: -834.327182
where:
bonds (distance) C4'-P energy: -145.175
bonds (distance) P-C4' energy: -147.849
flat angles C4'-P-C4' energy: -169.365
flat angles P-C4'-P energy: -112.311
tors. eta vs tors. theta energy: -259.628
Dist. restrs. and SS energy: 8.247 (S_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: 235
Temperature: 0.950000
Total energy: -2684.681038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.681038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.738894 (E_RNA)
where:
Base-Base interactions energy: -1908.854
where: short stacking energy: -791.185
Base-Backbone interact. energy: -3.753
local terms energy: -782.132000
where:
bonds (distance) C4'-P energy: -129.231
bonds (distance) P-C4' energy: -136.909
flat angles C4'-P-C4' energy: -156.333
flat angles P-C4'-P energy: -108.566
tors. eta vs tors. theta energy: -251.093
Dist. restrs. and SS energy: 10.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2614.688263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.688263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.390037 (E_RNA)
where:
Base-Base interactions energy: -1892.830
where: short stacking energy: -780.354
Base-Backbone interact. energy: -0.730
local terms energy: -737.829276
where:
bonds (distance) C4'-P energy: -119.442
bonds (distance) P-C4' energy: -120.883
flat angles C4'-P-C4' energy: -156.362
flat angles P-C4'-P energy: -104.828
tors. eta vs tors. theta energy: -236.314
Dist. restrs. and SS energy: 16.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2568.777993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.777993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.859833 (E_RNA)
where:
Base-Base interactions energy: -1818.824
where: short stacking energy: -764.258
Base-Backbone interact. energy: -1.978
local terms energy: -755.058173
where:
bonds (distance) C4'-P energy: -130.272
bonds (distance) P-C4' energy: -133.553
flat angles C4'-P-C4' energy: -147.504
flat angles P-C4'-P energy: -110.595
tors. eta vs tors. theta energy: -233.133
Dist. restrs. and SS energy: 7.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2516.321712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.321712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.888884 (E_RNA)
where:
Base-Base interactions energy: -1785.924
where: short stacking energy: -757.646
Base-Backbone interact. energy: 0.470
local terms energy: -743.435572
where:
bonds (distance) C4'-P energy: -127.931
bonds (distance) P-C4' energy: -137.913
flat angles C4'-P-C4' energy: -144.130
flat angles P-C4'-P energy: -95.678
tors. eta vs tors. theta energy: -237.784
Dist. restrs. and SS energy: 12.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2329.273657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.273657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.530941 (E_RNA)
where:
Base-Base interactions energy: -1678.838
where: short stacking energy: -662.871
Base-Backbone interact. energy: 1.245
local terms energy: -658.938041
where:
bonds (distance) C4'-P energy: -121.971
bonds (distance) P-C4' energy: -113.251
flat angles C4'-P-C4' energy: -140.264
flat angles P-C4'-P energy: -92.479
tors. eta vs tors. theta energy: -190.973
Dist. restrs. and SS energy: 7.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2322.780278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.780278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.821600 (E_RNA)
where:
Base-Base interactions energy: -1643.055
where: short stacking energy: -675.957
Base-Backbone interact. energy: -2.596
local terms energy: -690.170158
where:
bonds (distance) C4'-P energy: -123.912
bonds (distance) P-C4' energy: -120.253
flat angles C4'-P-C4' energy: -136.540
flat angles P-C4'-P energy: -103.308
tors. eta vs tors. theta energy: -206.156
Dist. restrs. and SS energy: 13.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -2222.982701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.982701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.915828 (E_RNA)
where:
Base-Base interactions energy: -1623.181
where: short stacking energy: -649.136
Base-Backbone interact. energy: -1.165
local terms energy: -605.569561
where:
bonds (distance) C4'-P energy: -108.423
bonds (distance) P-C4' energy: -114.451
flat angles C4'-P-C4' energy: -130.063
flat angles P-C4'-P energy: -62.390
tors. eta vs tors. theta energy: -190.242
Dist. restrs. and SS energy: 6.933 (S_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: 235
Temperature: 1.300000
Total energy: -2228.233200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.233200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.870852 (E_RNA)
where:
Base-Base interactions energy: -1596.293
where: short stacking energy: -649.358
Base-Backbone interact. energy: -1.901
local terms energy: -640.676627
where:
bonds (distance) C4'-P energy: -97.039
bonds (distance) P-C4' energy: -102.218
flat angles C4'-P-C4' energy: -143.158
flat angles P-C4'-P energy: -88.682
tors. eta vs tors. theta energy: -209.579
Dist. restrs. and SS energy: 10.638 (S_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: 235
Temperature: 1.350000
Total energy: -1999.887617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.887617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.362845 (E_RNA)
where:
Base-Base interactions energy: -1429.956
where: short stacking energy: -565.403
Base-Backbone interact. energy: 8.401
local terms energy: -592.807772
where:
bonds (distance) C4'-P energy: -118.967
bonds (distance) P-C4' energy: -95.253
flat angles C4'-P-C4' energy: -122.845
flat angles P-C4'-P energy: -89.662
tors. eta vs tors. theta energy: -166.080
Dist. restrs. and SS energy: 14.475 (S_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: 236
Temperature: 0.900000
Total energy: -2796.471055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.471055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.451532 (E_RNA)
where:
Base-Base interactions energy: -1971.707
where: short stacking energy: -810.962
Base-Backbone interact. energy: -2.854
local terms energy: -828.890972
where:
bonds (distance) C4'-P energy: -151.104
bonds (distance) P-C4' energy: -140.621
flat angles C4'-P-C4' energy: -168.541
flat angles P-C4'-P energy: -113.863
tors. eta vs tors. theta energy: -254.761
Dist. restrs. and SS energy: 6.980 (S_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: 236
Temperature: 0.950000
Total energy: -2688.955522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.955522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.463091 (E_RNA)
where:
Base-Base interactions energy: -1894.407
where: short stacking energy: -775.252
Base-Backbone interact. energy: -3.379
local terms energy: -800.677407
where:
bonds (distance) C4'-P energy: -130.900
bonds (distance) P-C4' energy: -141.298
flat angles C4'-P-C4' energy: -172.366
flat angles P-C4'-P energy: -121.737
tors. eta vs tors. theta energy: -234.377
Dist. restrs. and SS energy: 9.508 (S_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: 236
Temperature: 1.000000
Total energy: -2640.655807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.655807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.548154 (E_RNA)
where:
Base-Base interactions energy: -1890.181
where: short stacking energy: -790.515
Base-Backbone interact. energy: -2.697
local terms energy: -762.670728
where:
bonds (distance) C4'-P energy: -128.667
bonds (distance) P-C4' energy: -130.089
flat angles C4'-P-C4' energy: -149.735
flat angles P-C4'-P energy: -114.716
tors. eta vs tors. theta energy: -239.464
Dist. restrs. and SS energy: 14.892 (S_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: 236
Temperature: 1.050000
Total energy: -2566.962091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.962091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.155651 (E_RNA)
where:
Base-Base interactions energy: -1811.035
where: short stacking energy: -766.053
Base-Backbone interact. energy: -0.557
local terms energy: -764.562796
where:
bonds (distance) C4'-P energy: -132.303
bonds (distance) P-C4' energy: -117.721
flat angles C4'-P-C4' energy: -163.964
flat angles P-C4'-P energy: -102.054
tors. eta vs tors. theta energy: -248.522
Dist. restrs. and SS energy: 9.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2529.512396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.512396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.806361 (E_RNA)
where:
Base-Base interactions energy: -1801.611
where: short stacking energy: -714.517
Base-Backbone interact. energy: -1.692
local terms energy: -735.503938
where:
bonds (distance) C4'-P energy: -126.848
bonds (distance) P-C4' energy: -118.340
flat angles C4'-P-C4' energy: -155.140
flat angles P-C4'-P energy: -107.088
tors. eta vs tors. theta energy: -228.088
Dist. restrs. and SS energy: 9.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2339.164920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.164920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.253448 (E_RNA)
where:
Base-Base interactions energy: -1643.176
where: short stacking energy: -657.057
Base-Backbone interact. energy: 3.039
local terms energy: -705.116085
where:
bonds (distance) C4'-P energy: -128.586
bonds (distance) P-C4' energy: -129.730
flat angles C4'-P-C4' energy: -127.450
flat angles P-C4'-P energy: -109.000
tors. eta vs tors. theta energy: -210.350
Dist. restrs. and SS energy: 6.089 (S_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: 236
Temperature: 1.200000
Total energy: -2335.634559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.634559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.664165 (E_RNA)
where:
Base-Base interactions energy: -1642.790
where: short stacking energy: -660.530
Base-Backbone interact. energy: -1.228
local terms energy: -702.645705
where:
bonds (distance) C4'-P energy: -125.656
bonds (distance) P-C4' energy: -137.581
flat angles C4'-P-C4' energy: -133.478
flat angles P-C4'-P energy: -95.634
tors. eta vs tors. theta energy: -210.297
Dist. restrs. and SS energy: 11.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2237.135802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.135802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.067166 (E_RNA)
where:
Base-Base interactions energy: -1614.710
where: short stacking energy: -646.274
Base-Backbone interact. energy: -1.580
local terms energy: -640.776781
where:
bonds (distance) C4'-P energy: -115.626
bonds (distance) P-C4' energy: -95.367
flat angles C4'-P-C4' energy: -147.738
flat angles P-C4'-P energy: -87.963
tors. eta vs tors. theta energy: -194.082
Dist. restrs. and SS energy: 19.931 (S_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: 236
Temperature: 1.300000
Total energy: -2224.387116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.387116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.522106 (E_RNA)
where:
Base-Base interactions energy: -1587.088
where: short stacking energy: -642.159
Base-Backbone interact. energy: -0.867
local terms energy: -647.567013
where:
bonds (distance) C4'-P energy: -108.059
bonds (distance) P-C4' energy: -112.835
flat angles C4'-P-C4' energy: -124.133
flat angles P-C4'-P energy: -98.343
tors. eta vs tors. theta energy: -204.197
Dist. restrs. and SS energy: 11.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -2030.338229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.338229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.328290 (E_RNA)
where:
Base-Base interactions energy: -1455.813
where: short stacking energy: -578.012
Base-Backbone interact. energy: 2.093
local terms energy: -590.607757
where:
bonds (distance) C4'-P energy: -119.478
bonds (distance) P-C4' energy: -110.130
flat angles C4'-P-C4' energy: -118.001
flat angles P-C4'-P energy: -69.147
tors. eta vs tors. theta energy: -173.851
Dist. restrs. and SS energy: 13.990 (S_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: 237
Temperature: 0.900000
Total energy: -2798.784553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.784553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.699313 (E_RNA)
where:
Base-Base interactions energy: -2012.911
where: short stacking energy: -809.255
Base-Backbone interact. energy: -1.863
local terms energy: -790.924766
where:
bonds (distance) C4'-P energy: -135.074
bonds (distance) P-C4' energy: -143.662
flat angles C4'-P-C4' energy: -154.377
flat angles P-C4'-P energy: -114.259
tors. eta vs tors. theta energy: -243.553
Dist. restrs. and SS energy: 6.915 (S_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: 237
Temperature: 0.950000
Total energy: -2674.138535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.138535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.542130 (E_RNA)
where:
Base-Base interactions energy: -1907.868
where: short stacking energy: -793.621
Base-Backbone interact. energy: -3.551
local terms energy: -776.122972
where:
bonds (distance) C4'-P energy: -130.951
bonds (distance) P-C4' energy: -147.746
flat angles C4'-P-C4' energy: -144.662
flat angles P-C4'-P energy: -111.614
tors. eta vs tors. theta energy: -241.150
Dist. restrs. and SS energy: 13.404 (S_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: 237
Temperature: 1.000000
Total energy: -2603.687622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.687622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.908630 (E_RNA)
where:
Base-Base interactions energy: -1834.463
where: short stacking energy: -741.407
Base-Backbone interact. energy: -3.203
local terms energy: -776.243269
where:
bonds (distance) C4'-P energy: -133.638
bonds (distance) P-C4' energy: -151.958
flat angles C4'-P-C4' energy: -163.598
flat angles P-C4'-P energy: -99.378
tors. eta vs tors. theta energy: -227.671
Dist. restrs. and SS energy: 10.221 (S_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: 237
Temperature: 1.050000
Total energy: -2613.268713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.268713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.861414 (E_RNA)
where:
Base-Base interactions energy: -1842.403
where: short stacking energy: -749.793
Base-Backbone interact. energy: -0.132
local terms energy: -778.326896
where:
bonds (distance) C4'-P energy: -128.481
bonds (distance) P-C4' energy: -131.826
flat angles C4'-P-C4' energy: -160.381
flat angles P-C4'-P energy: -118.108
tors. eta vs tors. theta energy: -239.532
Dist. restrs. and SS energy: 7.593 (S_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: 237
Temperature: 1.100000
Total energy: -2506.344062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.344062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.855153 (E_RNA)
where:
Base-Base interactions energy: -1796.098
where: short stacking energy: -734.073
Base-Backbone interact. energy: -2.311
local terms energy: -719.446865
where:
bonds (distance) C4'-P energy: -120.923
bonds (distance) P-C4' energy: -122.347
flat angles C4'-P-C4' energy: -147.082
flat angles P-C4'-P energy: -105.388
tors. eta vs tors. theta energy: -223.706
Dist. restrs. and SS energy: 11.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2387.206147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.206147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.452567 (E_RNA)
where:
Base-Base interactions energy: -1714.736
where: short stacking energy: -680.225
Base-Backbone interact. energy: -0.893
local terms energy: -678.823192
where:
bonds (distance) C4'-P energy: -116.780
bonds (distance) P-C4' energy: -121.631
flat angles C4'-P-C4' energy: -132.170
flat angles P-C4'-P energy: -92.747
tors. eta vs tors. theta energy: -215.495
Dist. restrs. and SS energy: 7.246 (S_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: -2306.006208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.006208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.225991 (E_RNA)
where:
Base-Base interactions energy: -1651.550
where: short stacking energy: -660.929
Base-Backbone interact. energy: -1.956
local terms energy: -657.719084
where:
bonds (distance) C4'-P energy: -133.714
bonds (distance) P-C4' energy: -111.589
flat angles C4'-P-C4' energy: -133.863
flat angles P-C4'-P energy: -86.419
tors. eta vs tors. theta energy: -192.134
Dist. restrs. and SS energy: 5.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -2254.775355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.775355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.480639 (E_RNA)
where:
Base-Base interactions energy: -1621.882
where: short stacking energy: -659.533
Base-Backbone interact. energy: -2.001
local terms energy: -649.597051
where:
bonds (distance) C4'-P energy: -106.073
bonds (distance) P-C4' energy: -113.041
flat angles C4'-P-C4' energy: -147.483
flat angles P-C4'-P energy: -81.221
tors. eta vs tors. theta energy: -201.779
Dist. restrs. and SS energy: 18.705 (S_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: 237
Temperature: 1.300000
Total energy: -2166.577122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.577122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.934834 (E_RNA)
where:
Base-Base interactions energy: -1555.357
where: short stacking energy: -604.905
Base-Backbone interact. energy: -1.577
local terms energy: -627.001079
where:
bonds (distance) C4'-P energy: -113.536
bonds (distance) P-C4' energy: -117.750
flat angles C4'-P-C4' energy: -130.418
flat angles P-C4'-P energy: -79.594
tors. eta vs tors. theta energy: -185.704
Dist. restrs. and SS energy: 17.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -2066.862325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.862325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.611289 (E_RNA)
where:
Base-Base interactions energy: -1490.062
where: short stacking energy: -611.518
Base-Backbone interact. energy: -1.317
local terms energy: -590.232325
where:
bonds (distance) C4'-P energy: -97.762
bonds (distance) P-C4' energy: -93.620
flat angles C4'-P-C4' energy: -132.220
flat angles P-C4'-P energy: -76.032
tors. eta vs tors. theta energy: -190.599
Dist. restrs. and SS energy: 14.749 (S_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: 238
Temperature: 0.900000
Total energy: -2796.572097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.572097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.403785 (E_RNA)
where:
Base-Base interactions energy: -2007.233
where: short stacking energy: -832.638
Base-Backbone interact. energy: -0.697
local terms energy: -794.473861
where:
bonds (distance) C4'-P energy: -131.946
bonds (distance) P-C4' energy: -129.028
flat angles C4'-P-C4' energy: -165.457
flat angles P-C4'-P energy: -115.410
tors. eta vs tors. theta energy: -252.633
Dist. restrs. and SS energy: 5.832 (S_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: 238
Temperature: 0.950000
Total energy: -2683.643628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.643628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.290075 (E_RNA)
where:
Base-Base interactions energy: -1904.846
where: short stacking energy: -797.402
Base-Backbone interact. energy: -1.250
local terms energy: -785.193638
where:
bonds (distance) C4'-P energy: -117.164
bonds (distance) P-C4' energy: -154.051
flat angles C4'-P-C4' energy: -160.859
flat angles P-C4'-P energy: -106.434
tors. eta vs tors. theta energy: -246.685
Dist. restrs. and SS energy: 7.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2612.093629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.093629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.169589 (E_RNA)
where:
Base-Base interactions energy: -1843.533
where: short stacking energy: -738.763
Base-Backbone interact. energy: -2.835
local terms energy: -781.802338
where:
bonds (distance) C4'-P energy: -133.689
bonds (distance) P-C4' energy: -137.613
flat angles C4'-P-C4' energy: -158.551
flat angles P-C4'-P energy: -117.688
tors. eta vs tors. theta energy: -234.262
Dist. restrs. and SS energy: 16.076 (S_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: 238
Temperature: 1.050000
Total energy: -2575.681554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.681554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.237129 (E_RNA)
where:
Base-Base interactions energy: -1820.879
where: short stacking energy: -718.311
Base-Backbone interact. energy: -0.770
local terms energy: -761.587865
where:
bonds (distance) C4'-P energy: -122.422
bonds (distance) P-C4' energy: -125.866
flat angles C4'-P-C4' energy: -159.210
flat angles P-C4'-P energy: -124.898
tors. eta vs tors. theta energy: -229.191
Dist. restrs. and SS energy: 7.556 (S_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: 238
Temperature: 1.100000
Total energy: -2501.268033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.268033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.681206 (E_RNA)
where:
Base-Base interactions energy: -1811.692
where: short stacking energy: -748.106
Base-Backbone interact. energy: -1.393
local terms energy: -699.596222
where:
bonds (distance) C4'-P energy: -106.819
bonds (distance) P-C4' energy: -129.341
flat angles C4'-P-C4' energy: -146.033
flat angles P-C4'-P energy: -94.176
tors. eta vs tors. theta energy: -223.227
Dist. restrs. and SS energy: 11.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2423.289341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.289341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.266952 (E_RNA)
where:
Base-Base interactions energy: -1712.907
where: short stacking energy: -706.307
Base-Backbone interact. energy: -0.364
local terms energy: -716.995132
where:
bonds (distance) C4'-P energy: -123.299
bonds (distance) P-C4' energy: -117.290
flat angles C4'-P-C4' energy: -145.259
flat angles P-C4'-P energy: -106.270
tors. eta vs tors. theta energy: -224.876
Dist. restrs. and SS energy: 6.978 (S_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: -2323.402358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.402358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.646280 (E_RNA)
where:
Base-Base interactions energy: -1650.379
where: short stacking energy: -683.615
Base-Backbone interact. energy: 2.075
local terms energy: -681.342230
where:
bonds (distance) C4'-P energy: -122.805
bonds (distance) P-C4' energy: -117.998
flat angles C4'-P-C4' energy: -134.843
flat angles P-C4'-P energy: -98.753
tors. eta vs tors. theta energy: -206.943
Dist. restrs. and SS energy: 6.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -2254.724770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.724770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.971947 (E_RNA)
where:
Base-Base interactions energy: -1608.211
where: short stacking energy: -650.455
Base-Backbone interact. energy: 1.328
local terms energy: -656.088850
where:
bonds (distance) C4'-P energy: -116.181
bonds (distance) P-C4' energy: -103.771
flat angles C4'-P-C4' energy: -142.453
flat angles P-C4'-P energy: -99.377
tors. eta vs tors. theta energy: -194.306
Dist. restrs. and SS energy: 8.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -2212.133936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.133936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.321162 (E_RNA)
where:
Base-Base interactions energy: -1595.118
where: short stacking energy: -664.690
Base-Backbone interact. energy: -0.604
local terms energy: -637.598841
where:
bonds (distance) C4'-P energy: -104.357
bonds (distance) P-C4' energy: -130.909
flat angles C4'-P-C4' energy: -114.182
flat angles P-C4'-P energy: -85.783
tors. eta vs tors. theta energy: -202.368
Dist. restrs. and SS energy: 21.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -2119.712620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.712620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.759961 (E_RNA)
where:
Base-Base interactions energy: -1540.849
where: short stacking energy: -604.904
Base-Backbone interact. energy: 1.467
local terms energy: -593.377695
where:
bonds (distance) C4'-P energy: -102.905
bonds (distance) P-C4' energy: -104.612
flat angles C4'-P-C4' energy: -122.991
flat angles P-C4'-P energy: -71.874
tors. eta vs tors. theta energy: -190.996
Dist. restrs. and SS energy: 13.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2803.352738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.352738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.693017 (E_RNA)
where:
Base-Base interactions energy: -1998.724
where: short stacking energy: -839.653
Base-Backbone interact. energy: -2.955
local terms energy: -808.013386
where:
bonds (distance) C4'-P energy: -136.000
bonds (distance) P-C4' energy: -138.759
flat angles C4'-P-C4' energy: -159.178
flat angles P-C4'-P energy: -115.251
tors. eta vs tors. theta energy: -258.825
Dist. restrs. and SS energy: 6.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2652.207881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.207881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.303925 (E_RNA)
where:
Base-Base interactions energy: -1877.465
where: short stacking energy: -771.576
Base-Backbone interact. energy: -0.477
local terms energy: -786.362109
where:
bonds (distance) C4'-P energy: -132.745
bonds (distance) P-C4' energy: -134.630
flat angles C4'-P-C4' energy: -167.836
flat angles P-C4'-P energy: -116.375
tors. eta vs tors. theta energy: -234.775
Dist. restrs. and SS energy: 12.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2603.183149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.183149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.301724 (E_RNA)
where:
Base-Base interactions energy: -1852.947
where: short stacking energy: -776.987
Base-Backbone interact. energy: -0.459
local terms energy: -760.895586
where:
bonds (distance) C4'-P energy: -124.508
bonds (distance) P-C4' energy: -147.263
flat angles C4'-P-C4' energy: -154.398
flat angles P-C4'-P energy: -99.184
tors. eta vs tors. theta energy: -235.542
Dist. restrs. and SS energy: 11.119 (S_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: 239
Temperature: 1.050000
Total energy: -2579.962492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.962492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.213698 (E_RNA)
where:
Base-Base interactions energy: -1819.597
where: short stacking energy: -737.329
Base-Backbone interact. energy: -1.467
local terms energy: -766.150388
where:
bonds (distance) C4'-P energy: -131.094
bonds (distance) P-C4' energy: -132.471
flat angles C4'-P-C4' energy: -156.163
flat angles P-C4'-P energy: -112.333
tors. eta vs tors. theta energy: -234.090
Dist. restrs. and SS energy: 7.251 (S_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: 239
Temperature: 1.100000
Total energy: -2522.244605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.244605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.066806 (E_RNA)
where:
Base-Base interactions energy: -1813.765
where: short stacking energy: -742.655
Base-Backbone interact. energy: 0.602
local terms energy: -720.904036
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -151.808
flat angles P-C4'-P energy: -106.514
tors. eta vs tors. theta energy: -235.994
Dist. restrs. and SS energy: 11.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2344.664977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.664977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.554899 (E_RNA)
where:
Base-Base interactions energy: -1652.051
where: short stacking energy: -675.558
Base-Backbone interact. energy: -0.151
local terms energy: -696.352783
where:
bonds (distance) C4'-P energy: -122.397
bonds (distance) P-C4' energy: -121.046
flat angles C4'-P-C4' energy: -142.150
flat angles P-C4'-P energy: -104.690
tors. eta vs tors. theta energy: -206.070
Dist. restrs. and SS energy: 3.890 (S_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: 239
Temperature: 1.200000
Total energy: -2337.986413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.986413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.416497 (E_RNA)
where:
Base-Base interactions energy: -1664.551
where: short stacking energy: -691.193
Base-Backbone interact. energy: -0.891
local terms energy: -683.975417
where:
bonds (distance) C4'-P energy: -112.730
bonds (distance) P-C4' energy: -106.843
flat angles C4'-P-C4' energy: -146.281
flat angles P-C4'-P energy: -100.232
tors. eta vs tors. theta energy: -217.890
Dist. restrs. and SS energy: 11.430 (S_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: 239
Temperature: 1.250000
Total energy: -2219.226278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.226278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.414095 (E_RNA)
where:
Base-Base interactions energy: -1595.503
where: short stacking energy: -639.916
Base-Backbone interact. energy: -1.323
local terms energy: -631.587682
where:
bonds (distance) C4'-P energy: -120.384
bonds (distance) P-C4' energy: -80.470
flat angles C4'-P-C4' energy: -148.136
flat angles P-C4'-P energy: -82.751
tors. eta vs tors. theta energy: -199.847
Dist. restrs. and SS energy: 9.188 (S_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: 239
Temperature: 1.300000
Total energy: -2163.990300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.990300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.525937 (E_RNA)
where:
Base-Base interactions energy: -1576.642
where: short stacking energy: -619.856
Base-Backbone interact. energy: 2.176
local terms energy: -598.059817
where:
bonds (distance) C4'-P energy: -115.054
bonds (distance) P-C4' energy: -90.572
flat angles C4'-P-C4' energy: -142.695
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -183.937
Dist. restrs. and SS energy: 8.536 (S_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: 239
Temperature: 1.350000
Total energy: -2129.110435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.110435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.792784 (E_RNA)
where:
Base-Base interactions energy: -1518.321
where: short stacking energy: -610.701
Base-Backbone interact. energy: -2.663
local terms energy: -619.808983
where:
bonds (distance) C4'-P energy: -98.566
bonds (distance) P-C4' energy: -103.147
flat angles C4'-P-C4' energy: -144.388
flat angles P-C4'-P energy: -74.254
tors. eta vs tors. theta energy: -199.454
Dist. restrs. and SS energy: 11.682 (S_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: 240
Temperature: 0.900000
Total energy: -2802.071924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.071924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.478133 (E_RNA)
where:
Base-Base interactions energy: -1985.332
where: short stacking energy: -822.797
Base-Backbone interact. energy: -3.711
local terms energy: -821.435988
where:
bonds (distance) C4'-P energy: -143.071
bonds (distance) P-C4' energy: -146.143
flat angles C4'-P-C4' energy: -160.649
flat angles P-C4'-P energy: -116.142
tors. eta vs tors. theta energy: -255.431
Dist. restrs. and SS energy: 8.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2667.406173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.406173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.546610 (E_RNA)
where:
Base-Base interactions energy: -1881.844
where: short stacking energy: -740.907
Base-Backbone interact. energy: -1.834
local terms energy: -793.868604
where:
bonds (distance) C4'-P energy: -124.001
bonds (distance) P-C4' energy: -153.523
flat angles C4'-P-C4' energy: -158.280
flat angles P-C4'-P energy: -125.210
tors. eta vs tors. theta energy: -232.856
Dist. restrs. and SS energy: 10.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2635.608650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.608650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.941725 (E_RNA)
where:
Base-Base interactions energy: -1868.808
where: short stacking energy: -768.301
Base-Backbone interact. energy: -0.918
local terms energy: -770.214919
where:
bonds (distance) C4'-P energy: -130.193
bonds (distance) P-C4' energy: -132.068
flat angles C4'-P-C4' energy: -163.381
flat angles P-C4'-P energy: -97.990
tors. eta vs tors. theta energy: -246.582
Dist. restrs. and SS energy: 4.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2605.260126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.260126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.217016 (E_RNA)
where:
Base-Base interactions energy: -1843.037
where: short stacking energy: -753.640
Base-Backbone interact. energy: -2.341
local terms energy: -766.838984
where:
bonds (distance) C4'-P energy: -135.372
bonds (distance) P-C4' energy: -128.170
flat angles C4'-P-C4' energy: -156.165
flat angles P-C4'-P energy: -113.152
tors. eta vs tors. theta energy: -233.979
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2517.167629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.167629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.637635 (E_RNA)
where:
Base-Base interactions energy: -1787.570
where: short stacking energy: -734.733
Base-Backbone interact. energy: -0.925
local terms energy: -743.142279
where:
bonds (distance) C4'-P energy: -121.756
bonds (distance) P-C4' energy: -117.564
flat angles C4'-P-C4' energy: -161.511
flat angles P-C4'-P energy: -106.590
tors. eta vs tors. theta energy: -235.721
Dist. restrs. and SS energy: 14.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2345.421535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.421535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.023903 (E_RNA)
where:
Base-Base interactions energy: -1687.720
where: short stacking energy: -675.086
Base-Backbone interact. energy: -1.638
local terms energy: -666.666063
where:
bonds (distance) C4'-P energy: -122.904
bonds (distance) P-C4' energy: -107.744
flat angles C4'-P-C4' energy: -136.233
flat angles P-C4'-P energy: -98.957
tors. eta vs tors. theta energy: -200.828
Dist. restrs. and SS energy: 10.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2298.067383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.067383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.403142 (E_RNA)
where:
Base-Base interactions energy: -1653.711
where: short stacking energy: -652.244
Base-Backbone interact. energy: 1.865
local terms energy: -652.557690
where:
bonds (distance) C4'-P energy: -105.001
bonds (distance) P-C4' energy: -122.443
flat angles C4'-P-C4' energy: -131.672
flat angles P-C4'-P energy: -89.541
tors. eta vs tors. theta energy: -203.901
Dist. restrs. and SS energy: 6.336 (S_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: -2249.129370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.129370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.138880 (E_RNA)
where:
Base-Base interactions energy: -1620.078
where: short stacking energy: -648.659
Base-Backbone interact. energy: -1.148
local terms energy: -639.913381
where:
bonds (distance) C4'-P energy: -98.506
bonds (distance) P-C4' energy: -114.468
flat angles C4'-P-C4' energy: -137.941
flat angles P-C4'-P energy: -84.953
tors. eta vs tors. theta energy: -204.046
Dist. restrs. and SS energy: 12.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -2182.269371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.269371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.321303 (E_RNA)
where:
Base-Base interactions energy: -1568.677
where: short stacking energy: -628.264
Base-Backbone interact. energy: 4.837
local terms energy: -631.481434
where:
bonds (distance) C4'-P energy: -104.136
bonds (distance) P-C4' energy: -105.080
flat angles C4'-P-C4' energy: -139.010
flat angles P-C4'-P energy: -93.020
tors. eta vs tors. theta energy: -190.236
Dist. restrs. and SS energy: 13.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -2100.007611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.007611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.011277 (E_RNA)
where:
Base-Base interactions energy: -1539.999
where: short stacking energy: -629.056
Base-Backbone interact. energy: -3.955
local terms energy: -564.056983
where:
bonds (distance) C4'-P energy: -103.328
bonds (distance) P-C4' energy: -83.064
flat angles C4'-P-C4' energy: -125.175
flat angles P-C4'-P energy: -56.102
tors. eta vs tors. theta energy: -196.387
Dist. restrs. and SS energy: 8.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2810.016794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.016794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.901418 (E_RNA)
where:
Base-Base interactions energy: -2005.357
where: short stacking energy: -825.591
Base-Backbone interact. energy: -3.531
local terms energy: -808.013238
where:
bonds (distance) C4'-P energy: -136.228
bonds (distance) P-C4' energy: -121.430
flat angles C4'-P-C4' energy: -173.816
flat angles P-C4'-P energy: -119.770
tors. eta vs tors. theta energy: -256.770
Dist. restrs. and SS energy: 6.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2637.817839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.817839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.801385 (E_RNA)
where:
Base-Base interactions energy: -1862.505
where: short stacking energy: -754.996
Base-Backbone interact. energy: -1.948
local terms energy: -787.347963
where:
bonds (distance) C4'-P energy: -139.652
bonds (distance) P-C4' energy: -142.897
flat angles C4'-P-C4' energy: -156.477
flat angles P-C4'-P energy: -112.775
tors. eta vs tors. theta energy: -235.546
Dist. restrs. and SS energy: 13.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2629.440118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.440118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.337542 (E_RNA)
where:
Base-Base interactions energy: -1858.910
where: short stacking energy: -776.830
Base-Backbone interact. energy: -0.541
local terms energy: -775.886537
where:
bonds (distance) C4'-P energy: -138.970
bonds (distance) P-C4' energy: -124.977
flat angles C4'-P-C4' energy: -159.447
flat angles P-C4'-P energy: -115.407
tors. eta vs tors. theta energy: -237.085
Dist. restrs. and SS energy: 5.897 (S_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: 241
Temperature: 1.050000
Total energy: -2567.195789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.195789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.160608 (E_RNA)
where:
Base-Base interactions energy: -1789.430
where: short stacking energy: -747.548
Base-Backbone interact. energy: -1.456
local terms energy: -783.274859
where:
bonds (distance) C4'-P energy: -153.105
bonds (distance) P-C4' energy: -136.345
flat angles C4'-P-C4' energy: -160.763
flat angles P-C4'-P energy: -94.682
tors. eta vs tors. theta energy: -238.381
Dist. restrs. and SS energy: 6.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2479.555829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.555829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.487227 (E_RNA)
where:
Base-Base interactions energy: -1746.416
where: short stacking energy: -718.789
Base-Backbone interact. energy: -1.908
local terms energy: -743.162727
where:
bonds (distance) C4'-P energy: -129.232
bonds (distance) P-C4' energy: -114.342
flat angles C4'-P-C4' energy: -159.906
flat angles P-C4'-P energy: -117.071
tors. eta vs tors. theta energy: -222.610
Dist. restrs. and SS energy: 11.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2368.513621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.513621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.367780 (E_RNA)
where:
Base-Base interactions energy: -1696.181
where: short stacking energy: -680.983
Base-Backbone interact. energy: -2.261
local terms energy: -678.925985
where:
bonds (distance) C4'-P energy: -115.691
bonds (distance) P-C4' energy: -111.893
flat angles C4'-P-C4' energy: -146.669
flat angles P-C4'-P energy: -92.298
tors. eta vs tors. theta energy: -212.375
Dist. restrs. and SS energy: 8.854 (S_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: 241
Temperature: 1.200000
Total energy: -2311.380613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.380613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.671298 (E_RNA)
where:
Base-Base interactions energy: -1650.095
where: short stacking energy: -692.357
Base-Backbone interact. energy: -2.389
local terms energy: -671.186933
where:
bonds (distance) C4'-P energy: -122.015
bonds (distance) P-C4' energy: -93.983
flat angles C4'-P-C4' energy: -144.722
flat angles P-C4'-P energy: -94.756
tors. eta vs tors. theta energy: -215.712
Dist. restrs. and SS energy: 12.291 (S_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: 241
Temperature: 1.250000
Total energy: -2210.888840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.888840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.243793 (E_RNA)
where:
Base-Base interactions energy: -1578.849
where: short stacking energy: -627.708
Base-Backbone interact. energy: 8.610
local terms energy: -648.004746
where:
bonds (distance) C4'-P energy: -125.991
bonds (distance) P-C4' energy: -110.201
flat angles C4'-P-C4' energy: -121.149
flat angles P-C4'-P energy: -87.455
tors. eta vs tors. theta energy: -203.209
Dist. restrs. and SS energy: 7.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -2167.652692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.652692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.674467 (E_RNA)
where:
Base-Base interactions energy: -1548.625
where: short stacking energy: -619.741
Base-Backbone interact. energy: 0.490
local terms energy: -630.539048
where:
bonds (distance) C4'-P energy: -116.155
bonds (distance) P-C4' energy: -123.251
flat angles C4'-P-C4' energy: -139.658
flat angles P-C4'-P energy: -62.666
tors. eta vs tors. theta energy: -188.809
Dist. restrs. and SS energy: 11.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -2085.441056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.441056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.874006 (E_RNA)
where:
Base-Base interactions energy: -1516.200
where: short stacking energy: -608.698
Base-Backbone interact. energy: -2.336
local terms energy: -580.338031
where:
bonds (distance) C4'-P energy: -113.093
bonds (distance) P-C4' energy: -107.629
flat angles C4'-P-C4' energy: -124.635
flat angles P-C4'-P energy: -66.288
tors. eta vs tors. theta energy: -168.693
Dist. restrs. and SS energy: 13.433 (S_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: 242
Temperature: 0.900000
Total energy: -2799.964003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.964003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.820498 (E_RNA)
where:
Base-Base interactions energy: -1983.777
where: short stacking energy: -810.370
Base-Backbone interact. energy: -2.181
local terms energy: -820.862747
where:
bonds (distance) C4'-P energy: -145.545
bonds (distance) P-C4' energy: -147.021
flat angles C4'-P-C4' energy: -167.656
flat angles P-C4'-P energy: -113.077
tors. eta vs tors. theta energy: -247.564
Dist. restrs. and SS energy: 6.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2678.453548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.453548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.227255 (E_RNA)
where:
Base-Base interactions energy: -1895.158
where: short stacking energy: -771.870
Base-Backbone interact. energy: -3.928
local terms energy: -790.141554
where:
bonds (distance) C4'-P energy: -135.975
bonds (distance) P-C4' energy: -145.551
flat angles C4'-P-C4' energy: -165.544
flat angles P-C4'-P energy: -110.396
tors. eta vs tors. theta energy: -232.675
Dist. restrs. and SS energy: 10.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2612.813308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.813308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.840087 (E_RNA)
where:
Base-Base interactions energy: -1854.842
where: short stacking energy: -753.090
Base-Backbone interact. energy: -1.812
local terms energy: -763.185597
where:
bonds (distance) C4'-P energy: -135.709
bonds (distance) P-C4' energy: -130.013
flat angles C4'-P-C4' energy: -148.685
flat angles P-C4'-P energy: -112.891
tors. eta vs tors. theta energy: -235.888
Dist. restrs. and SS energy: 7.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2604.670905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.670905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.491734 (E_RNA)
where:
Base-Base interactions energy: -1840.720
where: short stacking energy: -763.770
Base-Backbone interact. energy: -2.871
local terms energy: -768.900626
where:
bonds (distance) C4'-P energy: -125.336
bonds (distance) P-C4' energy: -147.180
flat angles C4'-P-C4' energy: -161.081
flat angles P-C4'-P energy: -95.752
tors. eta vs tors. theta energy: -239.551
Dist. restrs. and SS energy: 7.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2491.560314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.560314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.016749 (E_RNA)
where:
Base-Base interactions energy: -1768.501
where: short stacking energy: -714.866
Base-Backbone interact. energy: 0.089
local terms energy: -736.604950
where:
bonds (distance) C4'-P energy: -117.496
bonds (distance) P-C4' energy: -133.833
flat angles C4'-P-C4' energy: -154.847
flat angles P-C4'-P energy: -99.930
tors. eta vs tors. theta energy: -230.499
Dist. restrs. and SS energy: 13.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2374.193151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.193151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.550811 (E_RNA)
where:
Base-Base interactions energy: -1676.586
where: short stacking energy: -682.318
Base-Backbone interact. energy: -0.660
local terms energy: -706.305212
where:
bonds (distance) C4'-P energy: -118.302
bonds (distance) P-C4' energy: -127.235
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -97.973
tors. eta vs tors. theta energy: -212.405
Dist. restrs. and SS energy: 9.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2329.457135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.457135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.924198 (E_RNA)
where:
Base-Base interactions energy: -1645.955
where: short stacking energy: -668.134
Base-Backbone interact. energy: -0.626
local terms energy: -691.342791
where:
bonds (distance) C4'-P energy: -124.765
bonds (distance) P-C4' energy: -138.432
flat angles C4'-P-C4' energy: -131.970
flat angles P-C4'-P energy: -96.429
tors. eta vs tors. theta energy: -199.746
Dist. restrs. and SS energy: 8.467 (S_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: 242
Temperature: 1.250000
Total energy: -2242.511928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.511928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.658454 (E_RNA)
where:
Base-Base interactions energy: -1576.565
where: short stacking energy: -636.042
Base-Backbone interact. energy: 3.525
local terms energy: -682.618165
where:
bonds (distance) C4'-P energy: -116.284
bonds (distance) P-C4' energy: -131.014
flat angles C4'-P-C4' energy: -144.188
flat angles P-C4'-P energy: -83.441
tors. eta vs tors. theta energy: -207.692
Dist. restrs. and SS energy: 13.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -2154.607712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.607712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.737042 (E_RNA)
where:
Base-Base interactions energy: -1558.381
where: short stacking energy: -618.942
Base-Backbone interact. energy: -2.410
local terms energy: -602.945967
where:
bonds (distance) C4'-P energy: -106.365
bonds (distance) P-C4' energy: -104.228
flat angles C4'-P-C4' energy: -141.217
flat angles P-C4'-P energy: -62.705
tors. eta vs tors. theta energy: -188.432
Dist. restrs. and SS energy: 9.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -2054.405502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.405502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.358621 (E_RNA)
where:
Base-Base interactions energy: -1482.166
where: short stacking energy: -619.175
Base-Backbone interact. energy: -0.285
local terms energy: -591.908518
where:
bonds (distance) C4'-P energy: -103.463
bonds (distance) P-C4' energy: -97.156
flat angles C4'-P-C4' energy: -125.797
flat angles P-C4'-P energy: -83.251
tors. eta vs tors. theta energy: -182.242
Dist. restrs. and SS energy: 19.953 (S_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: 243
Temperature: 0.900000
Total energy: -2797.613786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.613786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.425493 (E_RNA)
where:
Base-Base interactions energy: -2005.706
where: short stacking energy: -835.635
Base-Backbone interact. energy: -0.789
local terms energy: -800.930622
where:
bonds (distance) C4'-P energy: -135.638
bonds (distance) P-C4' energy: -142.820
flat angles C4'-P-C4' energy: -156.670
flat angles P-C4'-P energy: -115.448
tors. eta vs tors. theta energy: -250.355
Dist. restrs. and SS energy: 9.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2686.015355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.015355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.856732 (E_RNA)
where:
Base-Base interactions energy: -1913.657
where: short stacking energy: -781.516
Base-Backbone interact. energy: -0.828
local terms energy: -781.371868
where:
bonds (distance) C4'-P energy: -136.551
bonds (distance) P-C4' energy: -147.699
flat angles C4'-P-C4' energy: -160.711
flat angles P-C4'-P energy: -104.760
tors. eta vs tors. theta energy: -231.651
Dist. restrs. and SS energy: 9.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2614.574091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.574091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.871957 (E_RNA)
where:
Base-Base interactions energy: -1838.646
where: short stacking energy: -755.209
Base-Backbone interact. energy: -4.867
local terms energy: -780.358426
where:
bonds (distance) C4'-P energy: -133.409
bonds (distance) P-C4' energy: -126.458
flat angles C4'-P-C4' energy: -161.582
flat angles P-C4'-P energy: -116.986
tors. eta vs tors. theta energy: -241.924
Dist. restrs. and SS energy: 9.298 (S_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: 243
Temperature: 1.050000
Total energy: -2550.187425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.187425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.047319 (E_RNA)
where:
Base-Base interactions energy: -1770.650
where: short stacking energy: -760.520
Base-Backbone interact. energy: -2.712
local terms energy: -782.685591
where:
bonds (distance) C4'-P energy: -126.012
bonds (distance) P-C4' energy: -138.446
flat angles C4'-P-C4' energy: -160.202
flat angles P-C4'-P energy: -113.389
tors. eta vs tors. theta energy: -244.636
Dist. restrs. and SS energy: 5.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2475.279646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.279646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.906850 (E_RNA)
where:
Base-Base interactions energy: -1762.429
where: short stacking energy: -734.125
Base-Backbone interact. energy: -0.972
local terms energy: -725.505763
where:
bonds (distance) C4'-P energy: -127.166
bonds (distance) P-C4' energy: -132.558
flat angles C4'-P-C4' energy: -154.026
flat angles P-C4'-P energy: -93.382
tors. eta vs tors. theta energy: -218.374
Dist. restrs. and SS energy: 13.627 (S_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: 243
Temperature: 1.150000
Total energy: -2383.155172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.155172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.024821 (E_RNA)
where:
Base-Base interactions energy: -1685.326
where: short stacking energy: -677.792
Base-Backbone interact. energy: 3.916
local terms energy: -709.614551
where:
bonds (distance) C4'-P energy: -137.760
bonds (distance) P-C4' energy: -120.264
flat angles C4'-P-C4' energy: -145.463
flat angles P-C4'-P energy: -98.546
tors. eta vs tors. theta energy: -207.581
Dist. restrs. and SS energy: 7.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2294.420270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.420270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.604135 (E_RNA)
where:
Base-Base interactions energy: -1637.695
where: short stacking energy: -660.723
Base-Backbone interact. energy: 0.789
local terms energy: -669.697579
where:
bonds (distance) C4'-P energy: -83.979
bonds (distance) P-C4' energy: -127.390
flat angles C4'-P-C4' energy: -138.218
flat angles P-C4'-P energy: -110.772
tors. eta vs tors. theta energy: -209.338
Dist. restrs. and SS energy: 12.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2281.584118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.584118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.472859 (E_RNA)
where:
Base-Base interactions energy: -1631.873
where: short stacking energy: -666.494
Base-Backbone interact. energy: -1.138
local terms energy: -661.462268
where:
bonds (distance) C4'-P energy: -100.628
bonds (distance) P-C4' energy: -107.726
flat angles C4'-P-C4' energy: -147.444
flat angles P-C4'-P energy: -84.968
tors. eta vs tors. theta energy: -220.697
Dist. restrs. and SS energy: 12.889 (S_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: 243
Temperature: 1.300000
Total energy: -2176.638204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.638204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.819718 (E_RNA)
where:
Base-Base interactions energy: -1553.585
where: short stacking energy: -626.426
Base-Backbone interact. energy: -1.861
local terms energy: -632.373472
where:
bonds (distance) C4'-P energy: -103.919
bonds (distance) P-C4' energy: -115.855
flat angles C4'-P-C4' energy: -140.935
flat angles P-C4'-P energy: -76.181
tors. eta vs tors. theta energy: -195.484
Dist. restrs. and SS energy: 11.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -2098.783970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.783970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.142124 (E_RNA)
where:
Base-Base interactions energy: -1501.239
where: short stacking energy: -590.522
Base-Backbone interact. energy: -2.585
local terms energy: -608.318276
where:
bonds (distance) C4'-P energy: -100.382
bonds (distance) P-C4' energy: -92.854
flat angles C4'-P-C4' energy: -142.278
flat angles P-C4'-P energy: -87.072
tors. eta vs tors. theta energy: -185.732
Dist. restrs. and SS energy: 13.358 (S_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: 244
Temperature: 0.900000
Total energy: -2830.237077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.237077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.420840 (E_RNA)
where:
Base-Base interactions energy: -2019.668
where: short stacking energy: -840.424
Base-Backbone interact. energy: -1.914
local terms energy: -815.839388
where:
bonds (distance) C4'-P energy: -145.322
bonds (distance) P-C4' energy: -137.625
flat angles C4'-P-C4' energy: -164.644
flat angles P-C4'-P energy: -114.929
tors. eta vs tors. theta energy: -253.320
Dist. restrs. and SS energy: 7.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2691.814982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.814982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.907334 (E_RNA)
where:
Base-Base interactions energy: -1915.372
where: short stacking energy: -788.860
Base-Backbone interact. energy: -2.375
local terms energy: -787.160892
where:
bonds (distance) C4'-P energy: -131.637
bonds (distance) P-C4' energy: -129.771
flat angles C4'-P-C4' energy: -165.487
flat angles P-C4'-P energy: -115.237
tors. eta vs tors. theta energy: -245.029
Dist. restrs. and SS energy: 13.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2605.812010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.812010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.984556 (E_RNA)
where:
Base-Base interactions energy: -1834.993
where: short stacking energy: -766.195
Base-Backbone interact. energy: -2.371
local terms energy: -774.620525
where:
bonds (distance) C4'-P energy: -133.547
bonds (distance) P-C4' energy: -137.264
flat angles C4'-P-C4' energy: -160.263
flat angles P-C4'-P energy: -112.212
tors. eta vs tors. theta energy: -231.336
Dist. restrs. and SS energy: 6.173 (S_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: 244
Temperature: 1.050000
Total energy: -2564.559483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.559483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.644626 (E_RNA)
where:
Base-Base interactions energy: -1805.818
where: short stacking energy: -740.446
Base-Backbone interact. energy: -2.098
local terms energy: -759.728272
where:
bonds (distance) C4'-P energy: -125.866
bonds (distance) P-C4' energy: -130.907
flat angles C4'-P-C4' energy: -158.807
flat angles P-C4'-P energy: -114.490
tors. eta vs tors. theta energy: -229.659
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2476.325282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.325282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.931581 (E_RNA)
where:
Base-Base interactions energy: -1743.210
where: short stacking energy: -704.937
Base-Backbone interact. energy: -2.940
local terms energy: -738.781385
where:
bonds (distance) C4'-P energy: -123.952
bonds (distance) P-C4' energy: -134.978
flat angles C4'-P-C4' energy: -158.086
flat angles P-C4'-P energy: -111.555
tors. eta vs tors. theta energy: -210.211
Dist. restrs. and SS energy: 8.606 (S_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: 244
Temperature: 1.150000
Total energy: -2362.484460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.484460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.705454 (E_RNA)
where:
Base-Base interactions energy: -1657.203
where: short stacking energy: -673.490
Base-Backbone interact. energy: -2.846
local terms energy: -714.655816
where:
bonds (distance) C4'-P energy: -114.774
bonds (distance) P-C4' energy: -133.897
flat angles C4'-P-C4' energy: -152.732
flat angles P-C4'-P energy: -99.781
tors. eta vs tors. theta energy: -213.471
Dist. restrs. and SS energy: 12.221 (S_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: -2309.369612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.369612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.351877 (E_RNA)
where:
Base-Base interactions energy: -1641.417
where: short stacking energy: -673.468
Base-Backbone interact. energy: 1.395
local terms energy: -678.329861
where:
bonds (distance) C4'-P energy: -100.353
bonds (distance) P-C4' energy: -116.174
flat angles C4'-P-C4' energy: -150.721
flat angles P-C4'-P energy: -103.807
tors. eta vs tors. theta energy: -207.275
Dist. restrs. and SS energy: 8.982 (S_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: 244
Temperature: 1.250000
Total energy: -2235.947564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.947564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.761134 (E_RNA)
where:
Base-Base interactions energy: -1600.526
where: short stacking energy: -641.841
Base-Backbone interact. energy: -1.966
local terms energy: -645.268497
where:
bonds (distance) C4'-P energy: -107.891
bonds (distance) P-C4' energy: -119.898
flat angles C4'-P-C4' energy: -136.665
flat angles P-C4'-P energy: -88.614
tors. eta vs tors. theta energy: -192.200
Dist. restrs. and SS energy: 11.814 (S_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: 244
Temperature: 1.300000
Total energy: -2217.011782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.011782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.475231 (E_RNA)
where:
Base-Base interactions energy: -1584.743
where: short stacking energy: -634.684
Base-Backbone interact. energy: -2.586
local terms energy: -641.145625
where:
bonds (distance) C4'-P energy: -103.894
bonds (distance) P-C4' energy: -125.257
flat angles C4'-P-C4' energy: -137.152
flat angles P-C4'-P energy: -82.676
tors. eta vs tors. theta energy: -192.168
Dist. restrs. and SS energy: 11.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -2121.410649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.410649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.871714 (E_RNA)
where:
Base-Base interactions energy: -1498.482
where: short stacking energy: -604.318
Base-Backbone interact. energy: -2.088
local terms energy: -634.301918
where:
bonds (distance) C4'-P energy: -92.193
bonds (distance) P-C4' energy: -108.725
flat angles C4'-P-C4' energy: -139.299
flat angles P-C4'-P energy: -107.707
tors. eta vs tors. theta energy: -186.377
Dist. restrs. and SS energy: 13.461 (S_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: 245
Temperature: 0.900000
Total energy: -2780.881376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.881376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.629207 (E_RNA)
where:
Base-Base interactions energy: -1969.335
where: short stacking energy: -817.808
Base-Backbone interact. energy: -3.631
local terms energy: -815.663955
where:
bonds (distance) C4'-P energy: -140.890
bonds (distance) P-C4' energy: -125.555
flat angles C4'-P-C4' energy: -172.187
flat angles P-C4'-P energy: -117.543
tors. eta vs tors. theta energy: -259.489
Dist. restrs. and SS energy: 7.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2647.341921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.341921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.756790 (E_RNA)
where:
Base-Base interactions energy: -1901.236
where: short stacking energy: -755.471
Base-Backbone interact. energy: -0.976
local terms energy: -751.545303
where:
bonds (distance) C4'-P energy: -119.960
bonds (distance) P-C4' energy: -126.324
flat angles C4'-P-C4' energy: -159.349
flat angles P-C4'-P energy: -106.354
tors. eta vs tors. theta energy: -239.558
Dist. restrs. and SS energy: 6.415 (S_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: 245
Temperature: 1.000000
Total energy: -2625.184102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.184102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.595231 (E_RNA)
where:
Base-Base interactions energy: -1877.976
where: short stacking energy: -770.003
Base-Backbone interact. energy: -1.645
local terms energy: -749.973338
where:
bonds (distance) C4'-P energy: -122.978
bonds (distance) P-C4' energy: -139.014
flat angles C4'-P-C4' energy: -147.227
flat angles P-C4'-P energy: -103.477
tors. eta vs tors. theta energy: -237.278
Dist. restrs. and SS energy: 4.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2542.815548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.815548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.335455 (E_RNA)
where:
Base-Base interactions energy: -1783.364
where: short stacking energy: -736.928
Base-Backbone interact. energy: -0.986
local terms energy: -761.985594
where:
bonds (distance) C4'-P energy: -136.923
bonds (distance) P-C4' energy: -144.145
flat angles C4'-P-C4' energy: -156.592
flat angles P-C4'-P energy: -96.944
tors. eta vs tors. theta energy: -227.381
Dist. restrs. and SS energy: 3.520 (S_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: 245
Temperature: 1.100000
Total energy: -2490.414406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.414406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.966380 (E_RNA)
where:
Base-Base interactions energy: -1769.314
where: short stacking energy: -734.186
Base-Backbone interact. energy: -2.399
local terms energy: -731.253598
where:
bonds (distance) C4'-P energy: -126.528
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -143.876
flat angles P-C4'-P energy: -101.948
tors. eta vs tors. theta energy: -233.364
Dist. restrs. and SS energy: 12.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2359.381088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.381088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.757310 (E_RNA)
where:
Base-Base interactions energy: -1699.558
where: short stacking energy: -686.893
Base-Backbone interact. energy: -1.882
local terms energy: -673.317159
where:
bonds (distance) C4'-P energy: -97.739
bonds (distance) P-C4' energy: -120.512
flat angles C4'-P-C4' energy: -142.943
flat angles P-C4'-P energy: -104.229
tors. eta vs tors. theta energy: -207.895
Dist. restrs. and SS energy: 15.376 (S_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: -2403.117861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.117861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.511394 (E_RNA)
where:
Base-Base interactions energy: -1743.958
where: short stacking energy: -723.025
Base-Backbone interact. energy: -0.323
local terms energy: -670.231241
where:
bonds (distance) C4'-P energy: -108.346
bonds (distance) P-C4' energy: -112.178
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -76.351
tors. eta vs tors. theta energy: -223.634
Dist. restrs. and SS energy: 11.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2196.830987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.830987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.354142 (E_RNA)
where:
Base-Base interactions energy: -1566.435
where: short stacking energy: -624.053
Base-Backbone interact. energy: -0.003
local terms energy: -636.916048
where:
bonds (distance) C4'-P energy: -123.075
bonds (distance) P-C4' energy: -101.629
flat angles C4'-P-C4' energy: -131.547
flat angles P-C4'-P energy: -91.048
tors. eta vs tors. theta energy: -189.617
Dist. restrs. and SS energy: 6.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -2229.475231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.475231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.155284 (E_RNA)
where:
Base-Base interactions energy: -1609.580
where: short stacking energy: -622.765
Base-Backbone interact. energy: -1.649
local terms energy: -628.926108
where:
bonds (distance) C4'-P energy: -113.008
bonds (distance) P-C4' energy: -109.427
flat angles C4'-P-C4' energy: -127.589
flat angles P-C4'-P energy: -78.075
tors. eta vs tors. theta energy: -200.828
Dist. restrs. and SS energy: 10.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -2102.300604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.300604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.867595 (E_RNA)
where:
Base-Base interactions energy: -1496.379
where: short stacking energy: -596.222
Base-Backbone interact. energy: 2.664
local terms energy: -616.152387
where:
bonds (distance) C4'-P energy: -105.837
bonds (distance) P-C4' energy: -102.804
flat angles C4'-P-C4' energy: -134.226
flat angles P-C4'-P energy: -87.812
tors. eta vs tors. theta energy: -185.473
Dist. restrs. and SS energy: 7.567 (S_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: 246
Temperature: 0.900000
Total energy: -2816.366846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.366846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.156502 (E_RNA)
where:
Base-Base interactions energy: -1989.916
where: short stacking energy: -840.601
Base-Backbone interact. energy: -1.364
local terms energy: -832.876688
where:
bonds (distance) C4'-P energy: -141.060
bonds (distance) P-C4' energy: -145.522
flat angles C4'-P-C4' energy: -160.182
flat angles P-C4'-P energy: -121.212
tors. eta vs tors. theta energy: -264.901
Dist. restrs. and SS energy: 7.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2660.902154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.902154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.911603 (E_RNA)
where:
Base-Base interactions energy: -1880.891
where: short stacking energy: -785.087
Base-Backbone interact. energy: 0.554
local terms energy: -786.574613
where:
bonds (distance) C4'-P energy: -140.353
bonds (distance) P-C4' energy: -137.839
flat angles C4'-P-C4' energy: -157.020
flat angles P-C4'-P energy: -120.369
tors. eta vs tors. theta energy: -230.993
Dist. restrs. and SS energy: 6.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2645.309647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.309647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.643420 (E_RNA)
where:
Base-Base interactions energy: -1863.314
where: short stacking energy: -761.333
Base-Backbone interact. energy: -2.509
local terms energy: -786.820308
where:
bonds (distance) C4'-P energy: -138.306
bonds (distance) P-C4' energy: -138.109
flat angles C4'-P-C4' energy: -158.688
flat angles P-C4'-P energy: -105.576
tors. eta vs tors. theta energy: -246.141
Dist. restrs. and SS energy: 7.334 (S_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: 246
Temperature: 1.050000
Total energy: -2558.511129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.511129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.460797 (E_RNA)
where:
Base-Base interactions energy: -1789.292
where: short stacking energy: -723.672
Base-Backbone interact. energy: -2.632
local terms energy: -769.536477
where:
bonds (distance) C4'-P energy: -138.145
bonds (distance) P-C4' energy: -138.303
flat angles C4'-P-C4' energy: -151.653
flat angles P-C4'-P energy: -108.959
tors. eta vs tors. theta energy: -232.478
Dist. restrs. and SS energy: 2.950 (S_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: 246
Temperature: 1.100000
Total energy: -2505.814959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.814959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.559954 (E_RNA)
where:
Base-Base interactions energy: -1770.060
where: short stacking energy: -749.128
Base-Backbone interact. energy: -1.126
local terms energy: -750.373384
where:
bonds (distance) C4'-P energy: -138.076
bonds (distance) P-C4' energy: -115.109
flat angles C4'-P-C4' energy: -154.136
flat angles P-C4'-P energy: -101.645
tors. eta vs tors. theta energy: -241.408
Dist. restrs. and SS energy: 15.745 (S_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: 246
Temperature: 1.150000
Total energy: -2418.613279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.613279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.723191 (E_RNA)
where:
Base-Base interactions energy: -1709.016
where: short stacking energy: -698.035
Base-Backbone interact. energy: -1.569
local terms energy: -716.138212
where:
bonds (distance) C4'-P energy: -112.216
bonds (distance) P-C4' energy: -125.283
flat angles C4'-P-C4' energy: -149.546
flat angles P-C4'-P energy: -111.448
tors. eta vs tors. theta energy: -217.645
Dist. restrs. and SS energy: 8.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2359.036971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.036971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.202921 (E_RNA)
where:
Base-Base interactions energy: -1695.714
where: short stacking energy: -709.895
Base-Backbone interact. energy: 2.412
local terms energy: -680.901052
where:
bonds (distance) C4'-P energy: -96.353
bonds (distance) P-C4' energy: -111.992
flat angles C4'-P-C4' energy: -154.059
flat angles P-C4'-P energy: -102.970
tors. eta vs tors. theta energy: -215.528
Dist. restrs. and SS energy: 15.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2200.810311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.810311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.606022 (E_RNA)
where:
Base-Base interactions energy: -1558.062
where: short stacking energy: -607.324
Base-Backbone interact. energy: -2.960
local terms energy: -653.583632
where:
bonds (distance) C4'-P energy: -118.355
bonds (distance) P-C4' energy: -119.602
flat angles C4'-P-C4' energy: -147.274
flat angles P-C4'-P energy: -83.068
tors. eta vs tors. theta energy: -185.286
Dist. restrs. and SS energy: 13.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -2151.867051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.867051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.550454 (E_RNA)
where:
Base-Base interactions energy: -1519.260
where: short stacking energy: -591.782
Base-Backbone interact. energy: 1.685
local terms energy: -640.975765
where:
bonds (distance) C4'-P energy: -119.255
bonds (distance) P-C4' energy: -112.524
flat angles C4'-P-C4' energy: -130.117
flat angles P-C4'-P energy: -96.159
tors. eta vs tors. theta energy: -182.920
Dist. restrs. and SS energy: 6.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -2114.769423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.769423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.524667 (E_RNA)
where:
Base-Base interactions energy: -1520.590
where: short stacking energy: -619.929
Base-Backbone interact. energy: -1.984
local terms energy: -604.951575
where:
bonds (distance) C4'-P energy: -88.805
bonds (distance) P-C4' energy: -123.725
flat angles C4'-P-C4' energy: -135.312
flat angles P-C4'-P energy: -67.260
tors. eta vs tors. theta energy: -189.850
Dist. restrs. and SS energy: 12.755 (S_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: 247
Temperature: 0.900000
Total energy: -2798.718669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.718669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.975270 (E_RNA)
where:
Base-Base interactions energy: -1968.110
where: short stacking energy: -827.154
Base-Backbone interact. energy: -1.669
local terms energy: -836.195935
where:
bonds (distance) C4'-P energy: -147.037
bonds (distance) P-C4' energy: -144.475
flat angles C4'-P-C4' energy: -174.499
flat angles P-C4'-P energy: -110.563
tors. eta vs tors. theta energy: -259.622
Dist. restrs. and SS energy: 7.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2669.042851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.042851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.474615 (E_RNA)
where:
Base-Base interactions energy: -1893.784
where: short stacking energy: -770.330
Base-Backbone interact. energy: -1.740
local terms energy: -780.950585
where:
bonds (distance) C4'-P energy: -134.154
bonds (distance) P-C4' energy: -135.577
flat angles C4'-P-C4' energy: -162.324
flat angles P-C4'-P energy: -114.298
tors. eta vs tors. theta energy: -234.598
Dist. restrs. and SS energy: 7.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2648.594830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.594830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.151548 (E_RNA)
where:
Base-Base interactions energy: -1865.867
where: short stacking energy: -759.540
Base-Backbone interact. energy: -3.111
local terms energy: -785.173654
where:
bonds (distance) C4'-P energy: -132.558
bonds (distance) P-C4' energy: -150.582
flat angles C4'-P-C4' energy: -155.300
flat angles P-C4'-P energy: -106.311
tors. eta vs tors. theta energy: -240.422
Dist. restrs. and SS energy: 5.557 (S_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: 247
Temperature: 1.050000
Total energy: -2574.345299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.345299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.056018 (E_RNA)
where:
Base-Base interactions energy: -1827.085
where: short stacking energy: -750.303
Base-Backbone interact. energy: -0.909
local terms energy: -751.061698
where:
bonds (distance) C4'-P energy: -110.129
bonds (distance) P-C4' energy: -143.894
flat angles C4'-P-C4' energy: -163.935
flat angles P-C4'-P energy: -101.244
tors. eta vs tors. theta energy: -231.859
Dist. restrs. and SS energy: 4.711 (S_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: 247
Temperature: 1.100000
Total energy: -2473.001378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.001378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.067213 (E_RNA)
where:
Base-Base interactions energy: -1763.684
where: short stacking energy: -723.041
Base-Backbone interact. energy: -2.762
local terms energy: -720.621203
where:
bonds (distance) C4'-P energy: -119.499
bonds (distance) P-C4' energy: -129.610
flat angles C4'-P-C4' energy: -147.583
flat angles P-C4'-P energy: -97.114
tors. eta vs tors. theta energy: -226.816
Dist. restrs. and SS energy: 14.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2424.124780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.124780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.500713 (E_RNA)
where:
Base-Base interactions energy: -1762.946
where: short stacking energy: -704.018
Base-Backbone interact. energy: -4.028
local terms energy: -669.526496
where:
bonds (distance) C4'-P energy: -100.392
bonds (distance) P-C4' energy: -99.738
flat angles C4'-P-C4' energy: -147.521
flat angles P-C4'-P energy: -104.670
tors. eta vs tors. theta energy: -217.206
Dist. restrs. and SS energy: 12.376 (S_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: 247
Temperature: 1.200000
Total energy: -2347.090085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.090085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.576021 (E_RNA)
where:
Base-Base interactions energy: -1656.002
where: short stacking energy: -665.942
Base-Backbone interact. energy: 1.517
local terms energy: -704.090869
where:
bonds (distance) C4'-P energy: -116.851
bonds (distance) P-C4' energy: -123.065
flat angles C4'-P-C4' energy: -147.747
flat angles P-C4'-P energy: -105.443
tors. eta vs tors. theta energy: -210.984
Dist. restrs. and SS energy: 11.486 (S_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: 247
Temperature: 1.250000
Total energy: -2251.063338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.063338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.718573 (E_RNA)
where:
Base-Base interactions energy: -1607.857
where: short stacking energy: -656.551
Base-Backbone interact. energy: 0.555
local terms energy: -651.416915
where:
bonds (distance) C4'-P energy: -122.820
bonds (distance) P-C4' energy: -108.658
flat angles C4'-P-C4' energy: -131.164
flat angles P-C4'-P energy: -85.249
tors. eta vs tors. theta energy: -203.527
Dist. restrs. and SS energy: 7.655 (S_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: 247
Temperature: 1.300000
Total energy: -2148.736989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.736989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.329400 (E_RNA)
where:
Base-Base interactions energy: -1531.024
where: short stacking energy: -602.547
Base-Backbone interact. energy: -0.181
local terms energy: -624.125143
where:
bonds (distance) C4'-P energy: -94.173
bonds (distance) P-C4' energy: -128.893
flat angles C4'-P-C4' energy: -134.344
flat angles P-C4'-P energy: -78.052
tors. eta vs tors. theta energy: -188.664
Dist. restrs. and SS energy: 6.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -2131.405727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.405727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.555921 (E_RNA)
where:
Base-Base interactions energy: -1516.107
where: short stacking energy: -604.759
Base-Backbone interact. energy: 4.728
local terms energy: -627.176866
where:
bonds (distance) C4'-P energy: -110.015
bonds (distance) P-C4' energy: -118.219
flat angles C4'-P-C4' energy: -140.014
flat angles P-C4'-P energy: -74.894
tors. eta vs tors. theta energy: -184.034
Dist. restrs. and SS energy: 7.150 (S_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: 248
Temperature: 0.900000
Total energy: -2806.341887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.341887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.150903 (E_RNA)
where:
Base-Base interactions energy: -1958.461
where: short stacking energy: -812.459
Base-Backbone interact. energy: -1.545
local terms energy: -853.145160
where:
bonds (distance) C4'-P energy: -147.416
bonds (distance) P-C4' energy: -145.390
flat angles C4'-P-C4' energy: -177.934
flat angles P-C4'-P energy: -125.157
tors. eta vs tors. theta energy: -257.249
Dist. restrs. and SS energy: 6.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2652.380718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.380718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.971354 (E_RNA)
where:
Base-Base interactions energy: -1903.053
where: short stacking energy: -756.419
Base-Backbone interact. energy: -0.303
local terms energy: -756.615417
where:
bonds (distance) C4'-P energy: -123.398
bonds (distance) P-C4' energy: -143.299
flat angles C4'-P-C4' energy: -157.311
flat angles P-C4'-P energy: -108.605
tors. eta vs tors. theta energy: -224.002
Dist. restrs. and SS energy: 7.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2647.364970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.364970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.418623 (E_RNA)
where:
Base-Base interactions energy: -1873.824
where: short stacking energy: -746.654
Base-Backbone interact. energy: -4.329
local terms energy: -774.266051
where:
bonds (distance) C4'-P energy: -122.384
bonds (distance) P-C4' energy: -142.051
flat angles C4'-P-C4' energy: -164.951
flat angles P-C4'-P energy: -105.337
tors. eta vs tors. theta energy: -239.542
Dist. restrs. and SS energy: 5.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2543.726005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.726005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.261094 (E_RNA)
where:
Base-Base interactions energy: -1799.240
where: short stacking energy: -747.892
Base-Backbone interact. energy: -1.527
local terms energy: -747.494030
where:
bonds (distance) C4'-P energy: -103.136
bonds (distance) P-C4' energy: -126.694
flat angles C4'-P-C4' energy: -170.613
flat angles P-C4'-P energy: -116.097
tors. eta vs tors. theta energy: -230.953
Dist. restrs. and SS energy: 4.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2479.660440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.660440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.611133 (E_RNA)
where:
Base-Base interactions energy: -1757.786
where: short stacking energy: -742.673
Base-Backbone interact. energy: -1.943
local terms energy: -734.882788
where:
bonds (distance) C4'-P energy: -133.350
bonds (distance) P-C4' energy: -121.089
flat angles C4'-P-C4' energy: -152.111
flat angles P-C4'-P energy: -96.719
tors. eta vs tors. theta energy: -231.614
Dist. restrs. and SS energy: 14.951 (S_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: 248
Temperature: 1.150000
Total energy: -2450.586593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.586593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.286128 (E_RNA)
where:
Base-Base interactions energy: -1724.573
where: short stacking energy: -693.079
Base-Backbone interact. energy: -2.444
local terms energy: -737.268219
where:
bonds (distance) C4'-P energy: -115.359
bonds (distance) P-C4' energy: -147.959
flat angles C4'-P-C4' energy: -144.124
flat angles P-C4'-P energy: -103.298
tors. eta vs tors. theta energy: -226.529
Dist. restrs. and SS energy: 13.700 (S_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: 248
Temperature: 1.200000
Total energy: -2354.499366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.499366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.728495 (E_RNA)
where:
Base-Base interactions energy: -1666.559
where: short stacking energy: -675.380
Base-Backbone interact. energy: -3.217
local terms energy: -692.952891
where:
bonds (distance) C4'-P energy: -128.657
bonds (distance) P-C4' energy: -112.139
flat angles C4'-P-C4' energy: -139.014
flat angles P-C4'-P energy: -90.806
tors. eta vs tors. theta energy: -222.337
Dist. restrs. and SS energy: 8.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -2180.285202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.285202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.914980 (E_RNA)
where:
Base-Base interactions energy: -1547.240
where: short stacking energy: -630.376
Base-Backbone interact. energy: -2.388
local terms energy: -637.287636
where:
bonds (distance) C4'-P energy: -111.956
bonds (distance) P-C4' energy: -112.820
flat angles C4'-P-C4' energy: -139.791
flat angles P-C4'-P energy: -89.710
tors. eta vs tors. theta energy: -183.010
Dist. restrs. and SS energy: 6.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -2202.807847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.807847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.271725 (E_RNA)
where:
Base-Base interactions energy: -1601.569
where: short stacking energy: -641.407
Base-Backbone interact. energy: -0.366
local terms energy: -616.337082
where:
bonds (distance) C4'-P energy: -95.085
bonds (distance) P-C4' energy: -104.255
flat angles C4'-P-C4' energy: -130.302
flat angles P-C4'-P energy: -93.005
tors. eta vs tors. theta energy: -193.691
Dist. restrs. and SS energy: 15.464 (S_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: 248
Temperature: 1.350000
Total energy: -2090.018504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.018504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.007041 (E_RNA)
where:
Base-Base interactions energy: -1504.997
where: short stacking energy: -593.740
Base-Backbone interact. energy: -0.778
local terms energy: -594.231697
where:
bonds (distance) C4'-P energy: -97.382
bonds (distance) P-C4' energy: -104.147
flat angles C4'-P-C4' energy: -127.665
flat angles P-C4'-P energy: -83.056
tors. eta vs tors. theta energy: -181.982
Dist. restrs. and SS energy: 9.989 (S_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: 249
Temperature: 0.900000
Total energy: -2793.394384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.394384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.206621 (E_RNA)
where:
Base-Base interactions energy: -1986.184
where: short stacking energy: -815.528
Base-Backbone interact. energy: 1.438
local terms energy: -815.459754
where:
bonds (distance) C4'-P energy: -135.892
bonds (distance) P-C4' energy: -136.208
flat angles C4'-P-C4' energy: -172.404
flat angles P-C4'-P energy: -119.872
tors. eta vs tors. theta energy: -251.084
Dist. restrs. and SS energy: 6.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2674.511951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.511951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.605271 (E_RNA)
where:
Base-Base interactions energy: -1892.083
where: short stacking energy: -764.319
Base-Backbone interact. energy: -1.600
local terms energy: -787.922029
where:
bonds (distance) C4'-P energy: -136.382
bonds (distance) P-C4' energy: -150.797
flat angles C4'-P-C4' energy: -153.532
flat angles P-C4'-P energy: -113.206
tors. eta vs tors. theta energy: -234.005
Dist. restrs. and SS energy: 7.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2651.570024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.570024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.885808 (E_RNA)
where:
Base-Base interactions energy: -1894.197
where: short stacking energy: -783.606
Base-Backbone interact. energy: -1.227
local terms energy: -760.461251
where:
bonds (distance) C4'-P energy: -112.361
bonds (distance) P-C4' energy: -136.769
flat angles C4'-P-C4' energy: -163.414
flat angles P-C4'-P energy: -106.654
tors. eta vs tors. theta energy: -241.264
Dist. restrs. and SS energy: 4.316 (S_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: 249
Temperature: 1.050000
Total energy: -2571.106958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.106958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.276375 (E_RNA)
where:
Base-Base interactions energy: -1828.862
where: short stacking energy: -768.767
Base-Backbone interact. energy: -1.830
local terms energy: -746.583590
where:
bonds (distance) C4'-P energy: -130.266
bonds (distance) P-C4' energy: -137.433
flat angles C4'-P-C4' energy: -141.655
flat angles P-C4'-P energy: -101.158
tors. eta vs tors. theta energy: -236.072
Dist. restrs. and SS energy: 6.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2448.444170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.444170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.118119 (E_RNA)
where:
Base-Base interactions energy: -1741.645
where: short stacking energy: -739.920
Base-Backbone interact. energy: -1.799
local terms energy: -714.674503
where:
bonds (distance) C4'-P energy: -108.886
bonds (distance) P-C4' energy: -133.819
flat angles C4'-P-C4' energy: -143.572
flat angles P-C4'-P energy: -98.217
tors. eta vs tors. theta energy: -230.180
Dist. restrs. and SS energy: 9.674 (S_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: 249
Temperature: 1.150000
Total energy: -2416.323179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.323179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.005428 (E_RNA)
where:
Base-Base interactions energy: -1705.874
where: short stacking energy: -688.083
Base-Backbone interact. energy: 0.158
local terms energy: -726.288833
where:
bonds (distance) C4'-P energy: -125.562
bonds (distance) P-C4' energy: -126.931
flat angles C4'-P-C4' energy: -152.445
flat angles P-C4'-P energy: -108.829
tors. eta vs tors. theta energy: -212.523
Dist. restrs. and SS energy: 15.682 (S_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: 249
Temperature: 1.200000
Total energy: -2346.654033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.654033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.271598 (E_RNA)
where:
Base-Base interactions energy: -1662.168
where: short stacking energy: -693.892
Base-Backbone interact. energy: -0.351
local terms energy: -696.752004
where:
bonds (distance) C4'-P energy: -130.634
bonds (distance) P-C4' energy: -102.593
flat angles C4'-P-C4' energy: -151.212
flat angles P-C4'-P energy: -97.063
tors. eta vs tors. theta energy: -215.250
Dist. restrs. and SS energy: 12.618 (S_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: 249
Temperature: 1.250000
Total energy: -2239.456269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.456269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.081141 (E_RNA)
where:
Base-Base interactions energy: -1594.982
where: short stacking energy: -661.198
Base-Backbone interact. energy: -0.466
local terms energy: -654.632550
where:
bonds (distance) C4'-P energy: -118.046
bonds (distance) P-C4' energy: -105.347
flat angles C4'-P-C4' energy: -137.311
flat angles P-C4'-P energy: -84.957
tors. eta vs tors. theta energy: -208.971
Dist. restrs. and SS energy: 10.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -2138.054257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.054257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.394407 (E_RNA)
where:
Base-Base interactions energy: -1527.985
where: short stacking energy: -592.280
Base-Backbone interact. energy: -1.703
local terms energy: -619.706411
where:
bonds (distance) C4'-P energy: -107.959
bonds (distance) P-C4' energy: -121.944
flat angles C4'-P-C4' energy: -124.079
flat angles P-C4'-P energy: -89.367
tors. eta vs tors. theta energy: -176.357
Dist. restrs. and SS energy: 11.340 (S_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: 249
Temperature: 1.350000
Total energy: -2107.661484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.661484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.648533 (E_RNA)
where:
Base-Base interactions energy: -1505.486
where: short stacking energy: -603.382
Base-Backbone interact. energy: -1.171
local terms energy: -611.992264
where:
bonds (distance) C4'-P energy: -108.979
bonds (distance) P-C4' energy: -97.965
flat angles C4'-P-C4' energy: -123.798
flat angles P-C4'-P energy: -99.407
tors. eta vs tors. theta energy: -181.843
Dist. restrs. and SS energy: 10.987 (S_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: 250
Temperature: 0.900000
Total energy: -2808.552199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.552199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.264371 (E_RNA)
where:
Base-Base interactions energy: -1992.443
where: short stacking energy: -816.443
Base-Backbone interact. energy: 0.195
local terms energy: -823.016795
where:
bonds (distance) C4'-P energy: -133.543
bonds (distance) P-C4' energy: -146.025
flat angles C4'-P-C4' energy: -165.827
flat angles P-C4'-P energy: -118.934
tors. eta vs tors. theta energy: -258.688
Dist. restrs. and SS energy: 6.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2688.649383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.649383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.721363 (E_RNA)
where:
Base-Base interactions energy: -1884.777
where: short stacking energy: -764.866
Base-Backbone interact. energy: -2.769
local terms energy: -812.175295
where:
bonds (distance) C4'-P energy: -142.733
bonds (distance) P-C4' energy: -144.320
flat angles C4'-P-C4' energy: -165.577
flat angles P-C4'-P energy: -117.292
tors. eta vs tors. theta energy: -242.253
Dist. restrs. and SS energy: 11.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2617.033077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.033077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.969247 (E_RNA)
where:
Base-Base interactions energy: -1848.057
where: short stacking energy: -763.511
Base-Backbone interact. energy: -1.792
local terms energy: -772.119667
where:
bonds (distance) C4'-P energy: -140.023
bonds (distance) P-C4' energy: -120.995
flat angles C4'-P-C4' energy: -168.855
flat angles P-C4'-P energy: -104.126
tors. eta vs tors. theta energy: -238.120
Dist. restrs. and SS energy: 4.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2574.987576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.987576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.365722 (E_RNA)
where:
Base-Base interactions energy: -1818.105
where: short stacking energy: -744.786
Base-Backbone interact. energy: -2.383
local terms energy: -758.877056
where:
bonds (distance) C4'-P energy: -128.732
bonds (distance) P-C4' energy: -131.145
flat angles C4'-P-C4' energy: -153.106
flat angles P-C4'-P energy: -107.706
tors. eta vs tors. theta energy: -238.188
Dist. restrs. and SS energy: 4.378 (S_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: 250
Temperature: 1.100000
Total energy: -2447.404643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.404643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.091077 (E_RNA)
where:
Base-Base interactions energy: -1725.933
where: short stacking energy: -704.841
Base-Backbone interact. energy: -0.376
local terms energy: -731.782059
where:
bonds (distance) C4'-P energy: -117.883
bonds (distance) P-C4' energy: -125.403
flat angles C4'-P-C4' energy: -159.380
flat angles P-C4'-P energy: -112.269
tors. eta vs tors. theta energy: -216.846
Dist. restrs. and SS energy: 10.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2429.908339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.908339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.602356 (E_RNA)
where:
Base-Base interactions energy: -1763.557
where: short stacking energy: -692.986
Base-Backbone interact. energy: 0.007
local terms energy: -681.052307
where:
bonds (distance) C4'-P energy: -108.764
bonds (distance) P-C4' energy: -129.890
flat angles C4'-P-C4' energy: -130.287
flat angles P-C4'-P energy: -103.101
tors. eta vs tors. theta energy: -209.010
Dist. restrs. and SS energy: 14.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2343.407207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.407207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.210001 (E_RNA)
where:
Base-Base interactions energy: -1668.925
where: short stacking energy: -687.796
Base-Backbone interact. energy: -2.093
local terms energy: -686.191979
where:
bonds (distance) C4'-P energy: -115.009
bonds (distance) P-C4' energy: -111.839
flat angles C4'-P-C4' energy: -152.179
flat angles P-C4'-P energy: -82.747
tors. eta vs tors. theta energy: -224.417
Dist. restrs. and SS energy: 13.803 (S_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: -2226.438245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.438245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.407850 (E_RNA)
where:
Base-Base interactions energy: -1591.942
where: short stacking energy: -653.192
Base-Backbone interact. energy: -2.238
local terms energy: -637.227251
where:
bonds (distance) C4'-P energy: -113.494
bonds (distance) P-C4' energy: -102.419
flat angles C4'-P-C4' energy: -132.324
flat angles P-C4'-P energy: -85.543
tors. eta vs tors. theta energy: -203.447
Dist. restrs. and SS energy: 4.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -2192.652657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.652657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.454718 (E_RNA)
where:
Base-Base interactions energy: -1563.248
where: short stacking energy: -612.922
Base-Backbone interact. energy: -0.348
local terms energy: -641.858470
where:
bonds (distance) C4'-P energy: -103.314
bonds (distance) P-C4' energy: -123.931
flat angles C4'-P-C4' energy: -148.923
flat angles P-C4'-P energy: -89.062
tors. eta vs tors. theta energy: -176.629
Dist. restrs. and SS energy: 12.802 (S_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: 250
Temperature: 1.350000
Total energy: -2087.564519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.564519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.599455 (E_RNA)
where:
Base-Base interactions energy: -1520.028
where: short stacking energy: -627.990
Base-Backbone interact. energy: -0.966
local terms energy: -583.605902
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -79.910
flat angles C4'-P-C4' energy: -139.020
flat angles P-C4'-P energy: -78.842
tors. eta vs tors. theta energy: -193.356
Dist. restrs. and SS energy: 17.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2807.415742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.415742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.700475 (E_RNA)
where:
Base-Base interactions energy: -2005.494
where: short stacking energy: -807.870
Base-Backbone interact. energy: -2.281
local terms energy: -806.924872
where:
bonds (distance) C4'-P energy: -139.270
bonds (distance) P-C4' energy: -129.598
flat angles C4'-P-C4' energy: -164.621
flat angles P-C4'-P energy: -114.200
tors. eta vs tors. theta energy: -259.236
Dist. restrs. and SS energy: 7.285 (S_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: 251
Temperature: 0.950000
Total energy: -2684.664653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.664653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.742217 (E_RNA)
where:
Base-Base interactions energy: -1889.553
where: short stacking energy: -781.482
Base-Backbone interact. energy: -1.944
local terms energy: -796.245243
where:
bonds (distance) C4'-P energy: -136.265
bonds (distance) P-C4' energy: -134.810
flat angles C4'-P-C4' energy: -172.269
flat angles P-C4'-P energy: -107.472
tors. eta vs tors. theta energy: -245.429
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2643.860540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.860540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.656413 (E_RNA)
where:
Base-Base interactions energy: -1853.986
where: short stacking energy: -766.995
Base-Backbone interact. energy: -2.608
local terms energy: -801.062369
where:
bonds (distance) C4'-P energy: -151.187
bonds (distance) P-C4' energy: -139.958
flat angles C4'-P-C4' energy: -156.533
flat angles P-C4'-P energy: -115.251
tors. eta vs tors. theta energy: -238.133
Dist. restrs. and SS energy: 13.796 (S_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: 251
Temperature: 1.050000
Total energy: -2560.232110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.232110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.357106 (E_RNA)
where:
Base-Base interactions energy: -1801.173
where: short stacking energy: -740.723
Base-Backbone interact. energy: -1.311
local terms energy: -762.873439
where:
bonds (distance) C4'-P energy: -131.347
bonds (distance) P-C4' energy: -127.165
flat angles C4'-P-C4' energy: -158.928
flat angles P-C4'-P energy: -107.896
tors. eta vs tors. theta energy: -237.537
Dist. restrs. and SS energy: 5.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2430.771730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.771730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.766087 (E_RNA)
where:
Base-Base interactions energy: -1725.908
where: short stacking energy: -699.289
Base-Backbone interact. energy: -3.862
local terms energy: -712.995988
where:
bonds (distance) C4'-P energy: -125.539
bonds (distance) P-C4' energy: -126.662
flat angles C4'-P-C4' energy: -148.636
flat angles P-C4'-P energy: -100.819
tors. eta vs tors. theta energy: -211.339
Dist. restrs. and SS energy: 11.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2424.499027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.499027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.597067 (E_RNA)
where:
Base-Base interactions energy: -1727.351
where: short stacking energy: -713.798
Base-Backbone interact. energy: -1.598
local terms energy: -706.648281
where:
bonds (distance) C4'-P energy: -117.012
bonds (distance) P-C4' energy: -124.990
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -100.866
tors. eta vs tors. theta energy: -218.168
Dist. restrs. and SS energy: 11.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2300.972759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.972759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.514936 (E_RNA)
where:
Base-Base interactions energy: -1644.774
where: short stacking energy: -672.792
Base-Backbone interact. energy: 1.084
local terms energy: -667.824273
where:
bonds (distance) C4'-P energy: -113.702
bonds (distance) P-C4' energy: -116.471
flat angles C4'-P-C4' energy: -142.018
flat angles P-C4'-P energy: -99.729
tors. eta vs tors. theta energy: -195.903
Dist. restrs. and SS energy: 10.542 (S_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: 251
Temperature: 1.250000
Total energy: -2227.709129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.709129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.600861 (E_RNA)
where:
Base-Base interactions energy: -1585.569
where: short stacking energy: -634.474
Base-Backbone interact. energy: -0.801
local terms energy: -649.231004
where:
bonds (distance) C4'-P energy: -107.908
bonds (distance) P-C4' energy: -106.833
flat angles C4'-P-C4' energy: -132.526
flat angles P-C4'-P energy: -94.227
tors. eta vs tors. theta energy: -207.737
Dist. restrs. and SS energy: 7.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -2149.737292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.737292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.457239 (E_RNA)
where:
Base-Base interactions energy: -1532.068
where: short stacking energy: -612.568
Base-Backbone interact. energy: -1.796
local terms energy: -622.593117
where:
bonds (distance) C4'-P energy: -110.308
bonds (distance) P-C4' energy: -122.139
flat angles C4'-P-C4' energy: -138.495
flat angles P-C4'-P energy: -78.731
tors. eta vs tors. theta energy: -172.920
Dist. restrs. and SS energy: 6.720 (S_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: 251
Temperature: 1.350000
Total energy: -2170.848608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.848608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.867474 (E_RNA)
where:
Base-Base interactions energy: -1534.494
where: short stacking energy: -620.002
Base-Backbone interact. energy: -1.919
local terms energy: -640.454912
where:
bonds (distance) C4'-P energy: -115.898
bonds (distance) P-C4' energy: -128.701
flat angles C4'-P-C4' energy: -129.406
flat angles P-C4'-P energy: -75.397
tors. eta vs tors. theta energy: -191.053
Dist. restrs. and SS energy: 6.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2795.891225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.891225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.943201 (E_RNA)
where:
Base-Base interactions energy: -2001.216
where: short stacking energy: -824.619
Base-Backbone interact. energy: -1.068
local terms energy: -800.659664
where:
bonds (distance) C4'-P energy: -130.688
bonds (distance) P-C4' energy: -135.083
flat angles C4'-P-C4' energy: -166.460
flat angles P-C4'-P energy: -114.987
tors. eta vs tors. theta energy: -253.442
Dist. restrs. and SS energy: 7.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2681.327395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.327395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.400549 (E_RNA)
where:
Base-Base interactions energy: -1877.590
where: short stacking energy: -777.077
Base-Backbone interact. energy: 1.487
local terms energy: -811.297520
where:
bonds (distance) C4'-P energy: -129.151
bonds (distance) P-C4' energy: -141.287
flat angles C4'-P-C4' energy: -169.657
flat angles P-C4'-P energy: -123.797
tors. eta vs tors. theta energy: -247.406
Dist. restrs. and SS energy: 6.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2628.447333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.447333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.271162 (E_RNA)
where:
Base-Base interactions energy: -1858.060
where: short stacking energy: -762.930
Base-Backbone interact. energy: -2.391
local terms energy: -778.820214
where:
bonds (distance) C4'-P energy: -124.024
bonds (distance) P-C4' energy: -138.499
flat angles C4'-P-C4' energy: -156.865
flat angles P-C4'-P energy: -117.851
tors. eta vs tors. theta energy: -241.581
Dist. restrs. and SS energy: 10.824 (S_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: 252
Temperature: 1.050000
Total energy: -2574.040499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.040499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.497941 (E_RNA)
where:
Base-Base interactions energy: -1840.988
where: short stacking energy: -772.161
Base-Backbone interact. energy: -3.478
local terms energy: -733.032311
where:
bonds (distance) C4'-P energy: -132.220
bonds (distance) P-C4' energy: -102.598
flat angles C4'-P-C4' energy: -160.419
flat angles P-C4'-P energy: -101.887
tors. eta vs tors. theta energy: -235.908
Dist. restrs. and SS energy: 3.457 (S_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: 252
Temperature: 1.100000
Total energy: -2488.187573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.187573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.574951 (E_RNA)
where:
Base-Base interactions energy: -1772.782
where: short stacking energy: -691.788
Base-Backbone interact. energy: -3.630
local terms energy: -722.162976
where:
bonds (distance) C4'-P energy: -121.298
bonds (distance) P-C4' energy: -129.225
flat angles C4'-P-C4' energy: -156.182
flat angles P-C4'-P energy: -97.039
tors. eta vs tors. theta energy: -218.419
Dist. restrs. and SS energy: 10.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2450.415804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.415804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.690125 (E_RNA)
where:
Base-Base interactions energy: -1748.649
where: short stacking energy: -692.950
Base-Backbone interact. energy: -2.449
local terms energy: -710.592531
where:
bonds (distance) C4'-P energy: -115.333
bonds (distance) P-C4' energy: -119.586
flat angles C4'-P-C4' energy: -150.601
flat angles P-C4'-P energy: -103.052
tors. eta vs tors. theta energy: -222.020
Dist. restrs. and SS energy: 11.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2237.380812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.380812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.168486 (E_RNA)
where:
Base-Base interactions energy: -1602.665
where: short stacking energy: -615.823
Base-Backbone interact. energy: -2.443
local terms energy: -639.060481
where:
bonds (distance) C4'-P energy: -108.933
bonds (distance) P-C4' energy: -115.192
flat angles C4'-P-C4' energy: -144.883
flat angles P-C4'-P energy: -91.849
tors. eta vs tors. theta energy: -178.203
Dist. restrs. and SS energy: 6.788 (S_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: 252
Temperature: 1.250000
Total energy: -2226.572039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.572039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.715618 (E_RNA)
where:
Base-Base interactions energy: -1585.872
where: short stacking energy: -633.655
Base-Backbone interact. energy: 2.366
local terms energy: -650.209302
where:
bonds (distance) C4'-P energy: -103.239
bonds (distance) P-C4' energy: -116.076
flat angles C4'-P-C4' energy: -142.169
flat angles P-C4'-P energy: -95.787
tors. eta vs tors. theta energy: -192.939
Dist. restrs. and SS energy: 7.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -2172.730520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.730520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.500690 (E_RNA)
where:
Base-Base interactions energy: -1529.138
where: short stacking energy: -605.712
Base-Backbone interact. energy: 0.807
local terms energy: -654.170250
where:
bonds (distance) C4'-P energy: -116.215
bonds (distance) P-C4' energy: -135.851
flat angles C4'-P-C4' energy: -146.580
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -186.889
Dist. restrs. and SS energy: 9.770 (S_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: 252
Temperature: 1.350000
Total energy: -2133.480209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.480209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.467259 (E_RNA)
where:
Base-Base interactions energy: -1554.060
where: short stacking energy: -638.315
Base-Backbone interact. energy: -2.970
local terms energy: -584.437635
where:
bonds (distance) C4'-P energy: -99.377
bonds (distance) P-C4' energy: -83.496
flat angles C4'-P-C4' energy: -127.650
flat angles P-C4'-P energy: -72.508
tors. eta vs tors. theta energy: -201.406
Dist. restrs. and SS energy: 7.987 (S_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: 253
Temperature: 0.900000
Total energy: -2799.937461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.937461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.413701 (E_RNA)
where:
Base-Base interactions energy: -1972.977
where: short stacking energy: -816.303
Base-Backbone interact. energy: -1.243
local terms energy: -836.193290
where:
bonds (distance) C4'-P energy: -145.102
bonds (distance) P-C4' energy: -151.116
flat angles C4'-P-C4' energy: -164.145
flat angles P-C4'-P energy: -131.443
tors. eta vs tors. theta energy: -244.387
Dist. restrs. and SS energy: 10.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2701.151537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.151537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.681737 (E_RNA)
where:
Base-Base interactions energy: -1903.163
where: short stacking energy: -787.679
Base-Backbone interact. energy: -3.327
local terms energy: -798.191049
where:
bonds (distance) C4'-P energy: -129.294
bonds (distance) P-C4' energy: -133.765
flat angles C4'-P-C4' energy: -173.678
flat angles P-C4'-P energy: -119.092
tors. eta vs tors. theta energy: -242.363
Dist. restrs. and SS energy: 3.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2617.089570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.089570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.694890 (E_RNA)
where:
Base-Base interactions energy: -1863.811
where: short stacking energy: -758.654
Base-Backbone interact. energy: -3.212
local terms energy: -757.672637
where:
bonds (distance) C4'-P energy: -111.514
bonds (distance) P-C4' energy: -130.495
flat angles C4'-P-C4' energy: -163.507
flat angles P-C4'-P energy: -116.419
tors. eta vs tors. theta energy: -235.737
Dist. restrs. and SS energy: 7.605 (S_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: 253
Temperature: 1.050000
Total energy: -2495.026674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.026674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.766000 (E_RNA)
where:
Base-Base interactions energy: -1754.989
where: short stacking energy: -699.999
Base-Backbone interact. energy: -3.616
local terms energy: -740.160541
where:
bonds (distance) C4'-P energy: -120.064
bonds (distance) P-C4' energy: -135.556
flat angles C4'-P-C4' energy: -158.969
flat angles P-C4'-P energy: -99.726
tors. eta vs tors. theta energy: -225.845
Dist. restrs. and SS energy: 3.739 (S_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: 253
Temperature: 1.100000
Total energy: -2510.226521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.226521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.825068 (E_RNA)
where:
Base-Base interactions energy: -1773.897
where: short stacking energy: -708.685
Base-Backbone interact. energy: 2.329
local terms energy: -749.256865
where:
bonds (distance) C4'-P energy: -139.087
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -160.596
flat angles P-C4'-P energy: -104.128
tors. eta vs tors. theta energy: -218.960
Dist. restrs. and SS energy: 10.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2436.808728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.808728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.531946 (E_RNA)
where:
Base-Base interactions energy: -1742.494
where: short stacking energy: -739.147
Base-Backbone interact. energy: -2.699
local terms energy: -701.338508
where:
bonds (distance) C4'-P energy: -115.987
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -159.239
flat angles P-C4'-P energy: -84.540
tors. eta vs tors. theta energy: -225.801
Dist. restrs. and SS energy: 9.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2258.106688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.106688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.176081 (E_RNA)
where:
Base-Base interactions energy: -1580.487
where: short stacking energy: -645.100
Base-Backbone interact. energy: -0.566
local terms energy: -687.123318
where:
bonds (distance) C4'-P energy: -131.858
bonds (distance) P-C4' energy: -122.256
flat angles C4'-P-C4' energy: -143.051
flat angles P-C4'-P energy: -97.161
tors. eta vs tors. theta energy: -192.797
Dist. restrs. and SS energy: 10.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2232.580998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.580998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.119292 (E_RNA)
where:
Base-Base interactions energy: -1573.861
where: short stacking energy: -636.367
Base-Backbone interact. energy: 0.940
local terms energy: -667.198314
where:
bonds (distance) C4'-P energy: -130.176
bonds (distance) P-C4' energy: -102.825
flat angles C4'-P-C4' energy: -142.366
flat angles P-C4'-P energy: -93.678
tors. eta vs tors. theta energy: -198.154
Dist. restrs. and SS energy: 7.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -2209.158236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.158236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.370105 (E_RNA)
where:
Base-Base interactions energy: -1566.768
where: short stacking energy: -622.181
Base-Backbone interact. energy: -0.927
local terms energy: -648.675591
where:
bonds (distance) C4'-P energy: -104.435
bonds (distance) P-C4' energy: -112.573
flat angles C4'-P-C4' energy: -136.013
flat angles P-C4'-P energy: -101.562
tors. eta vs tors. theta energy: -194.092
Dist. restrs. and SS energy: 7.212 (S_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: 253
Temperature: 1.350000
Total energy: -2115.998985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.998985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.992131 (E_RNA)
where:
Base-Base interactions energy: -1530.989
where: short stacking energy: -609.851
Base-Backbone interact. energy: -1.356
local terms energy: -595.647585
where:
bonds (distance) C4'-P energy: -90.648
bonds (distance) P-C4' energy: -105.129
flat angles C4'-P-C4' energy: -128.455
flat angles P-C4'-P energy: -87.169
tors. eta vs tors. theta energy: -184.245
Dist. restrs. and SS energy: 11.993 (S_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: 254
Temperature: 0.900000
Total energy: -2790.805771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.805771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.616177 (E_RNA)
where:
Base-Base interactions energy: -1979.350
where: short stacking energy: -817.435
Base-Backbone interact. energy: 0.982
local terms energy: -820.247433
where:
bonds (distance) C4'-P energy: -131.234
bonds (distance) P-C4' energy: -140.111
flat angles C4'-P-C4' energy: -180.005
flat angles P-C4'-P energy: -111.617
tors. eta vs tors. theta energy: -257.280
Dist. restrs. and SS energy: 7.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2704.105997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.105997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.185482 (E_RNA)
where:
Base-Base interactions energy: -1892.508
where: short stacking energy: -786.267
Base-Backbone interact. energy: 0.656
local terms energy: -816.333460
where:
bonds (distance) C4'-P energy: -135.083
bonds (distance) P-C4' energy: -137.385
flat angles C4'-P-C4' energy: -166.783
flat angles P-C4'-P energy: -127.194
tors. eta vs tors. theta energy: -249.888
Dist. restrs. and SS energy: 4.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2611.792023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.792023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.530186 (E_RNA)
where:
Base-Base interactions energy: -1829.886
where: short stacking energy: -733.684
Base-Backbone interact. energy: -2.289
local terms energy: -789.354923
where:
bonds (distance) C4'-P energy: -137.565
bonds (distance) P-C4' energy: -129.647
flat angles C4'-P-C4' energy: -167.477
flat angles P-C4'-P energy: -121.539
tors. eta vs tors. theta energy: -233.127
Dist. restrs. and SS energy: 9.738 (S_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: 254
Temperature: 1.050000
Total energy: -2541.410340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.410340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.430099 (E_RNA)
where:
Base-Base interactions energy: -1821.479
where: short stacking energy: -745.286
Base-Backbone interact. energy: -1.223
local terms energy: -723.727902
where:
bonds (distance) C4'-P energy: -121.341
bonds (distance) P-C4' energy: -128.774
flat angles C4'-P-C4' energy: -161.264
flat angles P-C4'-P energy: -90.085
tors. eta vs tors. theta energy: -222.263
Dist. restrs. and SS energy: 5.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2505.371423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.371423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.485076 (E_RNA)
where:
Base-Base interactions energy: -1783.066
where: short stacking energy: -708.301
Base-Backbone interact. energy: 4.676
local terms energy: -737.095217
where:
bonds (distance) C4'-P energy: -128.967
bonds (distance) P-C4' energy: -132.348
flat angles C4'-P-C4' energy: -150.091
flat angles P-C4'-P energy: -97.193
tors. eta vs tors. theta energy: -228.497
Dist. restrs. and SS energy: 10.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2435.576893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.576893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.992274 (E_RNA)
where:
Base-Base interactions energy: -1735.008
where: short stacking energy: -700.937
Base-Backbone interact. energy: -0.049
local terms energy: -710.935255
where:
bonds (distance) C4'-P energy: -99.888
bonds (distance) P-C4' energy: -127.846
flat angles C4'-P-C4' energy: -153.998
flat angles P-C4'-P energy: -109.068
tors. eta vs tors. theta energy: -220.136
Dist. restrs. and SS energy: 10.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2298.797759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.797759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.327768 (E_RNA)
where:
Base-Base interactions energy: -1659.024
where: short stacking energy: -686.933
Base-Backbone interact. energy: -3.284
local terms energy: -650.020136
where:
bonds (distance) C4'-P energy: -102.872
bonds (distance) P-C4' energy: -103.411
flat angles C4'-P-C4' energy: -143.989
flat angles P-C4'-P energy: -97.361
tors. eta vs tors. theta energy: -202.387
Dist. restrs. and SS energy: 13.530 (S_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: 254
Temperature: 1.250000
Total energy: -2235.623264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.623264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.096257 (E_RNA)
where:
Base-Base interactions energy: -1569.447
where: short stacking energy: -617.589
Base-Backbone interact. energy: -3.889
local terms energy: -667.760010
where:
bonds (distance) C4'-P energy: -110.405
bonds (distance) P-C4' energy: -122.050
flat angles C4'-P-C4' energy: -147.910
flat angles P-C4'-P energy: -88.849
tors. eta vs tors. theta energy: -198.547
Dist. restrs. and SS energy: 5.473 (S_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: 254
Temperature: 1.300000
Total energy: -2166.166815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.166815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.449170 (E_RNA)
where:
Base-Base interactions energy: -1563.340
where: short stacking energy: -607.357
Base-Backbone interact. energy: 3.802
local terms energy: -613.911296
where:
bonds (distance) C4'-P energy: -123.139
bonds (distance) P-C4' energy: -94.875
flat angles C4'-P-C4' energy: -129.132
flat angles P-C4'-P energy: -91.004
tors. eta vs tors. theta energy: -175.760
Dist. restrs. and SS energy: 7.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -2147.857981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.857981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.684735 (E_RNA)
where:
Base-Base interactions energy: -1590.006
where: short stacking energy: -628.205
Base-Backbone interact. energy: -2.695
local terms energy: -568.983866
where:
bonds (distance) C4'-P energy: -76.682
bonds (distance) P-C4' energy: -85.654
flat angles C4'-P-C4' energy: -149.846
flat angles P-C4'-P energy: -71.232
tors. eta vs tors. theta energy: -185.570
Dist. restrs. and SS energy: 13.827 (S_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: 255
Temperature: 0.900000
Total energy: -2794.037210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.037210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.849627 (E_RNA)
where:
Base-Base interactions energy: -1986.948
where: short stacking energy: -808.176
Base-Backbone interact. energy: -2.097
local terms energy: -812.804449
where:
bonds (distance) C4'-P energy: -144.833
bonds (distance) P-C4' energy: -135.701
flat angles C4'-P-C4' energy: -165.011
flat angles P-C4'-P energy: -109.068
tors. eta vs tors. theta energy: -258.193
Dist. restrs. and SS energy: 7.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2696.620247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.620247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.105709 (E_RNA)
where:
Base-Base interactions energy: -1893.441
where: short stacking energy: -759.957
Base-Backbone interact. energy: -1.978
local terms energy: -807.686750
where:
bonds (distance) C4'-P energy: -133.203
bonds (distance) P-C4' energy: -146.029
flat angles C4'-P-C4' energy: -175.190
flat angles P-C4'-P energy: -115.961
tors. eta vs tors. theta energy: -237.304
Dist. restrs. and SS energy: 6.485 (S_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: 255
Temperature: 1.000000
Total energy: -2619.072244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.072244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.081280 (E_RNA)
where:
Base-Base interactions energy: -1845.395
where: short stacking energy: -747.699
Base-Backbone interact. energy: -0.564
local terms energy: -779.122110
where:
bonds (distance) C4'-P energy: -143.662
bonds (distance) P-C4' energy: -140.632
flat angles C4'-P-C4' energy: -166.311
flat angles P-C4'-P energy: -103.134
tors. eta vs tors. theta energy: -225.382
Dist. restrs. and SS energy: 6.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2529.227471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.227471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.544026 (E_RNA)
where:
Base-Base interactions energy: -1767.635
where: short stacking energy: -733.452
Base-Backbone interact. energy: 3.432
local terms energy: -767.340963
where:
bonds (distance) C4'-P energy: -131.334
bonds (distance) P-C4' energy: -128.813
flat angles C4'-P-C4' energy: -163.124
flat angles P-C4'-P energy: -118.731
tors. eta vs tors. theta energy: -225.340
Dist. restrs. and SS energy: 2.317 (S_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: 255
Temperature: 1.100000
Total energy: -2518.948204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.948204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.482872 (E_RNA)
where:
Base-Base interactions energy: -1805.614
where: short stacking energy: -708.952
Base-Backbone interact. energy: 1.805
local terms energy: -726.674195
where:
bonds (distance) C4'-P energy: -124.805
bonds (distance) P-C4' energy: -125.009
flat angles C4'-P-C4' energy: -149.409
flat angles P-C4'-P energy: -97.884
tors. eta vs tors. theta energy: -229.567
Dist. restrs. and SS energy: 11.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2399.355135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.355135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.748930 (E_RNA)
where:
Base-Base interactions energy: -1717.275
where: short stacking energy: -702.123
Base-Backbone interact. energy: -1.900
local terms energy: -692.573202
where:
bonds (distance) C4'-P energy: -121.012
bonds (distance) P-C4' energy: -123.096
flat angles C4'-P-C4' energy: -142.643
flat angles P-C4'-P energy: -94.115
tors. eta vs tors. theta energy: -211.706
Dist. restrs. and SS energy: 12.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2282.641912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.641912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.369721 (E_RNA)
where:
Base-Base interactions energy: -1634.060
where: short stacking energy: -659.658
Base-Backbone interact. energy: -1.655
local terms energy: -652.654160
where:
bonds (distance) C4'-P energy: -115.591
bonds (distance) P-C4' energy: -115.723
flat angles C4'-P-C4' energy: -128.827
flat angles P-C4'-P energy: -89.231
tors. eta vs tors. theta energy: -203.282
Dist. restrs. and SS energy: 5.728 (S_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: 255
Temperature: 1.250000
Total energy: -2246.267593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.267593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.996784 (E_RNA)
where:
Base-Base interactions energy: -1596.761
where: short stacking energy: -640.990
Base-Backbone interact. energy: -1.035
local terms energy: -659.200511
where:
bonds (distance) C4'-P energy: -97.145
bonds (distance) P-C4' energy: -124.344
flat angles C4'-P-C4' energy: -135.217
flat angles P-C4'-P energy: -102.347
tors. eta vs tors. theta energy: -200.148
Dist. restrs. and SS energy: 10.729 (S_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: 255
Temperature: 1.300000
Total energy: -2175.024522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.024522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.162900 (E_RNA)
where:
Base-Base interactions energy: -1561.379
where: short stacking energy: -627.812
Base-Backbone interact. energy: 1.476
local terms energy: -633.259888
where:
bonds (distance) C4'-P energy: -106.385
bonds (distance) P-C4' energy: -110.390
flat angles C4'-P-C4' energy: -141.922
flat angles P-C4'-P energy: -84.013
tors. eta vs tors. theta energy: -190.549
Dist. restrs. and SS energy: 18.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -2082.156831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.156831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.805270 (E_RNA)
where:
Base-Base interactions energy: -1516.793
where: short stacking energy: -601.000
Base-Backbone interact. energy: 5.687
local terms energy: -586.699436
where:
bonds (distance) C4'-P energy: -88.139
bonds (distance) P-C4' energy: -110.538
flat angles C4'-P-C4' energy: -145.694
flat angles P-C4'-P energy: -70.729
tors. eta vs tors. theta energy: -171.599
Dist. restrs. and SS energy: 15.648 (S_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: 256
Temperature: 0.900000
Total energy: -2798.093344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.093344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.233924 (E_RNA)
where:
Base-Base interactions energy: -1988.746
where: short stacking energy: -833.908
Base-Backbone interact. energy: -2.883
local terms energy: -813.604644
where:
bonds (distance) C4'-P energy: -133.972
bonds (distance) P-C4' energy: -141.190
flat angles C4'-P-C4' energy: -163.224
flat angles P-C4'-P energy: -118.028
tors. eta vs tors. theta energy: -257.192
Dist. restrs. and SS energy: 7.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2686.404494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.404494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.875983 (E_RNA)
where:
Base-Base interactions energy: -1880.312
where: short stacking energy: -764.224
Base-Backbone interact. energy: -3.128
local terms energy: -808.435680
where:
bonds (distance) C4'-P energy: -138.173
bonds (distance) P-C4' energy: -152.381
flat angles C4'-P-C4' energy: -161.470
flat angles P-C4'-P energy: -117.215
tors. eta vs tors. theta energy: -239.196
Dist. restrs. and SS energy: 5.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2608.214283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.214283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.052741 (E_RNA)
where:
Base-Base interactions energy: -1840.110
where: short stacking energy: -760.085
Base-Backbone interact. energy: -2.769
local terms energy: -778.172842
where:
bonds (distance) C4'-P energy: -128.959
bonds (distance) P-C4' energy: -138.482
flat angles C4'-P-C4' energy: -160.174
flat angles P-C4'-P energy: -119.756
tors. eta vs tors. theta energy: -230.802
Dist. restrs. and SS energy: 12.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2564.541299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.541299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.115170 (E_RNA)
where:
Base-Base interactions energy: -1813.158
where: short stacking energy: -775.594
Base-Backbone interact. energy: -1.501
local terms energy: -753.455617
where:
bonds (distance) C4'-P energy: -125.547
bonds (distance) P-C4' energy: -131.754
flat angles C4'-P-C4' energy: -160.242
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -240.763
Dist. restrs. and SS energy: 3.574 (S_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: 256
Temperature: 1.100000
Total energy: -2533.326283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.326283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.510596 (E_RNA)
where:
Base-Base interactions energy: -1800.389
where: short stacking energy: -737.435
Base-Backbone interact. energy: -3.123
local terms energy: -741.998290
where:
bonds (distance) C4'-P energy: -128.778
bonds (distance) P-C4' energy: -123.013
flat angles C4'-P-C4' energy: -148.704
flat angles P-C4'-P energy: -115.117
tors. eta vs tors. theta energy: -226.386
Dist. restrs. and SS energy: 12.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2413.721706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.721706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.232375 (E_RNA)
where:
Base-Base interactions energy: -1719.614
where: short stacking energy: -707.110
Base-Backbone interact. energy: -4.221
local terms energy: -706.396791
where:
bonds (distance) C4'-P energy: -117.326
bonds (distance) P-C4' energy: -130.021
flat angles C4'-P-C4' energy: -145.894
flat angles P-C4'-P energy: -88.397
tors. eta vs tors. theta energy: -224.758
Dist. restrs. and SS energy: 16.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2265.792973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.792973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.036811 (E_RNA)
where:
Base-Base interactions energy: -1624.121
where: short stacking energy: -638.708
Base-Backbone interact. energy: -1.636
local terms energy: -651.280330
where:
bonds (distance) C4'-P energy: -108.345
bonds (distance) P-C4' energy: -120.678
flat angles C4'-P-C4' energy: -123.661
flat angles P-C4'-P energy: -104.634
tors. eta vs tors. theta energy: -193.961
Dist. restrs. and SS energy: 11.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2271.041239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.041239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.478710 (E_RNA)
where:
Base-Base interactions energy: -1627.631
where: short stacking energy: -665.286
Base-Backbone interact. energy: 3.564
local terms energy: -658.412569
where:
bonds (distance) C4'-P energy: -116.614
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -152.396
flat angles P-C4'-P energy: -88.387
tors. eta vs tors. theta energy: -212.763
Dist. restrs. and SS energy: 11.437 (S_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: 256
Temperature: 1.300000
Total energy: -2152.745198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.745198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.358955 (E_RNA)
where:
Base-Base interactions energy: -1567.644
where: short stacking energy: -627.196
Base-Backbone interact. energy: -3.974
local terms energy: -597.740905
where:
bonds (distance) C4'-P energy: -103.341
bonds (distance) P-C4' energy: -81.847
flat angles C4'-P-C4' energy: -136.698
flat angles P-C4'-P energy: -88.067
tors. eta vs tors. theta energy: -187.788
Dist. restrs. and SS energy: 16.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -2100.850302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.850302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.505070 (E_RNA)
where:
Base-Base interactions energy: -1495.595
where: short stacking energy: -590.916
Base-Backbone interact. energy: -0.376
local terms energy: -617.534047
where:
bonds (distance) C4'-P energy: -100.711
bonds (distance) P-C4' energy: -109.652
flat angles C4'-P-C4' energy: -122.732
flat angles P-C4'-P energy: -82.474
tors. eta vs tors. theta energy: -201.965
Dist. restrs. and SS energy: 12.655 (S_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: 257
Temperature: 0.900000
Total energy: -2821.640356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.640356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.627614 (E_RNA)
where:
Base-Base interactions energy: -1979.578
where: short stacking energy: -825.617
Base-Backbone interact. energy: -3.664
local terms energy: -845.385788
where:
bonds (distance) C4'-P energy: -135.950
bonds (distance) P-C4' energy: -145.256
flat angles C4'-P-C4' energy: -178.840
flat angles P-C4'-P energy: -124.177
tors. eta vs tors. theta energy: -261.162
Dist. restrs. and SS energy: 6.987 (S_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: 257
Temperature: 0.950000
Total energy: -2716.501149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.501149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.957255 (E_RNA)
where:
Base-Base interactions energy: -1900.393
where: short stacking energy: -769.216
Base-Backbone interact. energy: 0.048
local terms energy: -819.612013
where:
bonds (distance) C4'-P energy: -132.965
bonds (distance) P-C4' energy: -141.481
flat angles C4'-P-C4' energy: -180.552
flat angles P-C4'-P energy: -110.946
tors. eta vs tors. theta energy: -253.669
Dist. restrs. and SS energy: 3.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2589.841761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.841761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.578992 (E_RNA)
where:
Base-Base interactions energy: -1843.520
where: short stacking energy: -758.748
Base-Backbone interact. energy: 0.462
local terms energy: -758.520725
where:
bonds (distance) C4'-P energy: -126.346
bonds (distance) P-C4' energy: -128.865
flat angles C4'-P-C4' energy: -149.822
flat angles P-C4'-P energy: -117.997
tors. eta vs tors. theta energy: -235.492
Dist. restrs. and SS energy: 11.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2588.089431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.089431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.303390 (E_RNA)
where:
Base-Base interactions energy: -1835.257
where: short stacking energy: -760.215
Base-Backbone interact. energy: -1.470
local terms energy: -754.576869
where:
bonds (distance) C4'-P energy: -134.752
bonds (distance) P-C4' energy: -113.552
flat angles C4'-P-C4' energy: -153.148
flat angles P-C4'-P energy: -111.615
tors. eta vs tors. theta energy: -241.510
Dist. restrs. and SS energy: 3.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2527.537224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.537224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.761649 (E_RNA)
where:
Base-Base interactions energy: -1801.136
where: short stacking energy: -715.194
Base-Backbone interact. energy: -1.412
local terms energy: -735.214615
where:
bonds (distance) C4'-P energy: -120.234
bonds (distance) P-C4' energy: -129.819
flat angles C4'-P-C4' energy: -143.988
flat angles P-C4'-P energy: -105.782
tors. eta vs tors. theta energy: -235.391
Dist. restrs. and SS energy: 10.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2395.540256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.540256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.264600 (E_RNA)
where:
Base-Base interactions energy: -1717.934
where: short stacking energy: -682.173
Base-Backbone interact. energy: 0.294
local terms energy: -689.624674
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -108.665
flat angles C4'-P-C4' energy: -149.708
flat angles P-C4'-P energy: -103.030
tors. eta vs tors. theta energy: -209.904
Dist. restrs. and SS energy: 11.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2338.213435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.213435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.613089 (E_RNA)
where:
Base-Base interactions energy: -1677.591
where: short stacking energy: -660.211
Base-Backbone interact. energy: -4.585
local terms energy: -662.437139
where:
bonds (distance) C4'-P energy: -111.806
bonds (distance) P-C4' energy: -139.189
flat angles C4'-P-C4' energy: -134.767
flat angles P-C4'-P energy: -73.889
tors. eta vs tors. theta energy: -202.785
Dist. restrs. and SS energy: 6.400 (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: 257
Temperature: 1.250000
Total energy: -2260.761188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.761188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.958275 (E_RNA)
where:
Base-Base interactions energy: -1596.753
where: short stacking energy: -641.489
Base-Backbone interact. energy: -3.827
local terms energy: -667.378036
where:
bonds (distance) C4'-P energy: -126.149
bonds (distance) P-C4' energy: -107.751
flat angles C4'-P-C4' energy: -147.162
flat angles P-C4'-P energy: -78.818
tors. eta vs tors. theta energy: -207.497
Dist. restrs. and SS energy: 7.197 (S_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: 257
Temperature: 1.300000
Total energy: -2154.403077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.403077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.436451 (E_RNA)
where:
Base-Base interactions energy: -1552.783
where: short stacking energy: -614.864
Base-Backbone interact. energy: -0.907
local terms energy: -616.746097
where:
bonds (distance) C4'-P energy: -101.098
bonds (distance) P-C4' energy: -102.912
flat angles C4'-P-C4' energy: -129.612
flat angles P-C4'-P energy: -94.172
tors. eta vs tors. theta energy: -188.951
Dist. restrs. and SS energy: 16.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -2111.855673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.855673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.221738 (E_RNA)
where:
Base-Base interactions energy: -1506.621
where: short stacking energy: -610.961
Base-Backbone interact. energy: -1.243
local terms energy: -616.358145
where:
bonds (distance) C4'-P energy: -125.003
bonds (distance) P-C4' energy: -83.118
flat angles C4'-P-C4' energy: -124.181
flat angles P-C4'-P energy: -91.021
tors. eta vs tors. theta energy: -193.035
Dist. restrs. and SS energy: 12.366 (S_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: 258
Temperature: 0.900000
Total energy: -2810.350174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.350174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.499796 (E_RNA)
where:
Base-Base interactions energy: -1985.483
where: short stacking energy: -829.465
Base-Backbone interact. energy: 0.474
local terms energy: -833.490247
where:
bonds (distance) C4'-P energy: -139.328
bonds (distance) P-C4' energy: -143.888
flat angles C4'-P-C4' energy: -170.182
flat angles P-C4'-P energy: -125.604
tors. eta vs tors. theta energy: -254.488
Dist. restrs. and SS energy: 8.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2660.558841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.558841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.919475 (E_RNA)
where:
Base-Base interactions energy: -1880.533
where: short stacking energy: -771.096
Base-Backbone interact. energy: -2.755
local terms energy: -781.631717
where:
bonds (distance) C4'-P energy: -146.105
bonds (distance) P-C4' energy: -135.496
flat angles C4'-P-C4' energy: -162.064
flat angles P-C4'-P energy: -92.758
tors. eta vs tors. theta energy: -245.209
Dist. restrs. and SS energy: 4.361 (S_DIST_RNA)
chem. 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: -2616.631145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.631145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.142263 (E_RNA)
where:
Base-Base interactions energy: -1848.762
where: short stacking energy: -764.717
Base-Backbone interact. energy: -1.581
local terms energy: -769.799338
where:
bonds (distance) C4'-P energy: -114.737
bonds (distance) P-C4' energy: -120.101
flat angles C4'-P-C4' energy: -160.106
flat angles P-C4'-P energy: -126.168
tors. eta vs tors. theta energy: -248.687
Dist. restrs. and SS energy: 3.511 (S_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: 258
Temperature: 1.050000
Total energy: -2576.971971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.971971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.357399 (E_RNA)
where:
Base-Base interactions energy: -1834.090
where: short stacking energy: -749.496
Base-Backbone interact. energy: -2.797
local terms energy: -753.470190
where:
bonds (distance) C4'-P energy: -121.367
bonds (distance) P-C4' energy: -119.736
flat angles C4'-P-C4' energy: -152.351
flat angles P-C4'-P energy: -118.533
tors. eta vs tors. theta energy: -241.484
Dist. restrs. and SS energy: 13.385 (S_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: 258
Temperature: 1.100000
Total energy: -2505.535176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.535176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.436743 (E_RNA)
where:
Base-Base interactions energy: -1799.497
where: short stacking energy: -719.411
Base-Backbone interact. energy: -2.733
local terms energy: -715.206666
where:
bonds (distance) C4'-P energy: -112.121
bonds (distance) P-C4' energy: -121.599
flat angles C4'-P-C4' energy: -156.576
flat angles P-C4'-P energy: -103.323
tors. eta vs tors. theta energy: -221.588
Dist. restrs. and SS energy: 11.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2371.055367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.055367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.461263 (E_RNA)
where:
Base-Base interactions energy: -1669.217
where: short stacking energy: -688.810
Base-Backbone interact. energy: -2.826
local terms energy: -711.418654
where:
bonds (distance) C4'-P energy: -116.427
bonds (distance) P-C4' energy: -116.034
flat angles C4'-P-C4' energy: -156.825
flat angles P-C4'-P energy: -107.731
tors. eta vs tors. theta energy: -214.402
Dist. restrs. and SS energy: 12.406 (S_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: 258
Temperature: 1.200000
Total energy: -2345.318719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.318719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.103417 (E_RNA)
where:
Base-Base interactions energy: -1691.144
where: short stacking energy: -698.283
Base-Backbone interact. energy: 0.629
local terms energy: -671.588719
where:
bonds (distance) C4'-P energy: -114.480
bonds (distance) P-C4' energy: -110.679
flat angles C4'-P-C4' energy: -138.651
flat angles P-C4'-P energy: -102.567
tors. eta vs tors. theta energy: -205.212
Dist. restrs. and SS energy: 16.785 (S_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: -2240.096591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.096591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.353447 (E_RNA)
where:
Base-Base interactions energy: -1593.618
where: short stacking energy: -653.357
Base-Backbone interact. energy: -0.901
local terms energy: -656.835104
where:
bonds (distance) C4'-P energy: -108.831
bonds (distance) P-C4' energy: -126.485
flat angles C4'-P-C4' energy: -139.725
flat angles P-C4'-P energy: -78.963
tors. eta vs tors. theta energy: -202.831
Dist. restrs. and SS energy: 11.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -2143.982621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.982621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.016596 (E_RNA)
where:
Base-Base interactions energy: -1556.505
where: short stacking energy: -615.170
Base-Backbone interact. energy: -0.246
local terms energy: -593.265646
where:
bonds (distance) C4'-P energy: -81.954
bonds (distance) P-C4' energy: -112.530
flat angles C4'-P-C4' energy: -130.777
flat angles P-C4'-P energy: -79.992
tors. eta vs tors. theta energy: -188.014
Dist. restrs. and SS energy: 6.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -2122.839340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.839340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.534821 (E_RNA)
where:
Base-Base interactions energy: -1542.863
where: short stacking energy: -599.188
Base-Backbone interact. energy: -1.755
local terms energy: -584.917045
where:
bonds (distance) C4'-P energy: -90.245
bonds (distance) P-C4' energy: -96.795
flat angles C4'-P-C4' energy: -122.141
flat angles P-C4'-P energy: -82.166
tors. eta vs tors. theta energy: -193.570
Dist. restrs. and SS energy: 6.695 (S_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: 259
Temperature: 0.900000
Total energy: -2791.272948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.272948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.663696 (E_RNA)
where:
Base-Base interactions energy: -1988.415
where: short stacking energy: -830.159
Base-Backbone interact. energy: -1.766
local terms energy: -810.482782
where:
bonds (distance) C4'-P energy: -137.216
bonds (distance) P-C4' energy: -140.861
flat angles C4'-P-C4' energy: -170.866
flat angles P-C4'-P energy: -107.581
tors. eta vs tors. theta energy: -253.959
Dist. restrs. and SS energy: 9.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2654.924314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.924314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.867445 (E_RNA)
where:
Base-Base interactions energy: -1876.990
where: short stacking energy: -764.121
Base-Backbone interact. energy: -3.198
local terms energy: -776.679724
where:
bonds (distance) C4'-P energy: -133.034
bonds (distance) P-C4' energy: -133.260
flat angles C4'-P-C4' energy: -159.930
flat angles P-C4'-P energy: -118.104
tors. eta vs tors. theta energy: -232.353
Dist. restrs. and SS energy: 1.943 (S_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: 259
Temperature: 1.000000
Total energy: -2642.615025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.615025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.762769 (E_RNA)
where:
Base-Base interactions energy: -1873.425
where: short stacking energy: -759.214
Base-Backbone interact. energy: -2.981
local terms energy: -772.357217
where:
bonds (distance) C4'-P energy: -133.055
bonds (distance) P-C4' energy: -126.966
flat angles C4'-P-C4' energy: -158.739
flat angles P-C4'-P energy: -120.881
tors. eta vs tors. theta energy: -232.716
Dist. restrs. and SS energy: 6.148 (S_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: 259
Temperature: 1.050000
Total energy: -2576.583326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.583326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.298425 (E_RNA)
where:
Base-Base interactions energy: -1821.305
where: short stacking energy: -737.334
Base-Backbone interact. energy: -2.453
local terms energy: -766.540295
where:
bonds (distance) C4'-P energy: -132.828
bonds (distance) P-C4' energy: -123.594
flat angles C4'-P-C4' energy: -165.760
flat angles P-C4'-P energy: -106.382
tors. eta vs tors. theta energy: -237.978
Dist. restrs. and SS energy: 13.715 (S_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: 259
Temperature: 1.100000
Total energy: -2479.188963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.188963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.307318 (E_RNA)
where:
Base-Base interactions energy: -1774.087
where: short stacking energy: -715.408
Base-Backbone interact. energy: -3.434
local terms energy: -714.786171
where:
bonds (distance) C4'-P energy: -129.999
bonds (distance) P-C4' energy: -126.492
flat angles C4'-P-C4' energy: -144.227
flat angles P-C4'-P energy: -98.428
tors. eta vs tors. theta energy: -215.641
Dist. restrs. and SS energy: 13.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2348.504080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.504080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.200541 (E_RNA)
where:
Base-Base interactions energy: -1686.818
where: short stacking energy: -664.121
Base-Backbone interact. energy: 2.289
local terms energy: -675.671327
where:
bonds (distance) C4'-P energy: -87.672
bonds (distance) P-C4' energy: -132.780
flat angles C4'-P-C4' energy: -154.034
flat angles P-C4'-P energy: -99.511
tors. eta vs tors. theta energy: -201.674
Dist. restrs. and SS energy: 11.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2340.538836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.538836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.354680 (E_RNA)
where:
Base-Base interactions energy: -1658.407
where: short stacking energy: -664.036
Base-Backbone interact. energy: 3.623
local terms energy: -694.571000
where:
bonds (distance) C4'-P energy: -127.730
bonds (distance) P-C4' energy: -130.884
flat angles C4'-P-C4' energy: -147.942
flat angles P-C4'-P energy: -84.840
tors. eta vs tors. theta energy: -203.175
Dist. restrs. and SS energy: 8.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -2277.042761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.042761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.948552 (E_RNA)
where:
Base-Base interactions energy: -1609.699
where: short stacking energy: -652.616
Base-Backbone interact. energy: -2.334
local terms energy: -673.915508
where:
bonds (distance) C4'-P energy: -124.550
bonds (distance) P-C4' energy: -103.601
flat angles C4'-P-C4' energy: -140.692
flat angles P-C4'-P energy: -93.211
tors. eta vs tors. theta energy: -211.862
Dist. restrs. and SS energy: 8.906 (S_DIST_RNA)
chem. 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: -2192.939904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.939904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.004202 (E_RNA)
where:
Base-Base interactions energy: -1553.081
where: short stacking energy: -620.335
Base-Backbone interact. energy: -2.412
local terms energy: -650.510740
where:
bonds (distance) C4'-P energy: -112.303
bonds (distance) P-C4' energy: -112.070
flat angles C4'-P-C4' energy: -137.596
flat angles P-C4'-P energy: -86.475
tors. eta vs tors. theta energy: -202.067
Dist. restrs. and SS energy: 13.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -2128.053694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.053694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.640729 (E_RNA)
where:
Base-Base interactions energy: -1507.301
where: short stacking energy: -590.964
Base-Backbone interact. energy: -1.882
local terms energy: -628.457140
where:
bonds (distance) C4'-P energy: -103.610
bonds (distance) P-C4' energy: -125.925
flat angles C4'-P-C4' energy: -129.993
flat angles P-C4'-P energy: -87.690
tors. eta vs tors. theta energy: -181.239
Dist. restrs. and SS energy: 9.587 (S_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: 260
Temperature: 0.900000
Total energy: -2791.038052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.038052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.567756 (E_RNA)
where:
Base-Base interactions energy: -1977.047
where: short stacking energy: -822.886
Base-Backbone interact. energy: -1.385
local terms energy: -823.136206
where:
bonds (distance) C4'-P energy: -145.351
bonds (distance) P-C4' energy: -124.579
flat angles C4'-P-C4' energy: -177.336
flat angles P-C4'-P energy: -115.559
tors. eta vs tors. theta energy: -260.312
Dist. restrs. and SS energy: 10.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2671.890329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.890329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.145938 (E_RNA)
where:
Base-Base interactions energy: -1885.410
where: short stacking energy: -778.344
Base-Backbone interact. energy: -1.590
local terms energy: -788.145902
where:
bonds (distance) C4'-P energy: -138.564
bonds (distance) P-C4' energy: -126.686
flat angles C4'-P-C4' energy: -166.764
flat angles P-C4'-P energy: -112.591
tors. eta vs tors. theta energy: -243.541
Dist. restrs. and SS energy: 3.256 (S_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: 260
Temperature: 1.000000
Total energy: -2597.481506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.481506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.771620 (E_RNA)
where:
Base-Base interactions energy: -1835.844
where: short stacking energy: -749.265
Base-Backbone interact. energy: -2.860
local terms energy: -769.067513
where:
bonds (distance) C4'-P energy: -125.024
bonds (distance) P-C4' energy: -132.599
flat angles C4'-P-C4' energy: -156.500
flat angles P-C4'-P energy: -120.919
tors. eta vs tors. theta energy: -234.026
Dist. restrs. and SS energy: 10.290 (S_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: 260
Temperature: 1.050000
Total energy: -2582.967578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.967578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.189877 (E_RNA)
where:
Base-Base interactions energy: -1816.321
where: short stacking energy: -732.472
Base-Backbone interact. energy: -0.337
local terms energy: -773.531885
where:
bonds (distance) C4'-P energy: -134.075
bonds (distance) P-C4' energy: -132.708
flat angles C4'-P-C4' energy: -167.989
flat angles P-C4'-P energy: -105.997
tors. eta vs tors. theta energy: -232.763
Dist. restrs. and SS energy: 7.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2485.079739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.079739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.603205 (E_RNA)
where:
Base-Base interactions energy: -1769.119
where: short stacking energy: -717.628
Base-Backbone interact. energy: -1.071
local terms energy: -727.413452
where:
bonds (distance) C4'-P energy: -115.762
bonds (distance) P-C4' energy: -139.417
flat angles C4'-P-C4' energy: -151.488
flat angles P-C4'-P energy: -103.787
tors. eta vs tors. theta energy: -216.959
Dist. restrs. and SS energy: 12.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2364.525120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.525120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.903692 (E_RNA)
where:
Base-Base interactions energy: -1665.422
where: short stacking energy: -685.664
Base-Backbone interact. energy: 7.037
local terms energy: -714.519312
where:
bonds (distance) C4'-P energy: -119.041
bonds (distance) P-C4' energy: -122.887
flat angles C4'-P-C4' energy: -153.634
flat angles P-C4'-P energy: -98.982
tors. eta vs tors. theta energy: -219.975
Dist. restrs. and SS energy: 8.379 (S_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: -2298.979976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.979976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.997653 (E_RNA)
where:
Base-Base interactions energy: -1602.668
where: short stacking energy: -644.832
Base-Backbone interact. energy: -1.884
local terms energy: -701.446028
where:
bonds (distance) C4'-P energy: -125.862
bonds (distance) P-C4' energy: -120.385
flat angles C4'-P-C4' energy: -139.177
flat angles P-C4'-P energy: -101.334
tors. eta vs tors. theta energy: -214.688
Dist. restrs. and SS energy: 7.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2284.134896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.134896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.147306 (E_RNA)
where:
Base-Base interactions energy: -1618.121
where: short stacking energy: -646.634
Base-Backbone interact. energy: -1.932
local terms energy: -674.094071
where:
bonds (distance) C4'-P energy: -120.591
bonds (distance) P-C4' energy: -126.801
flat angles C4'-P-C4' energy: -130.974
flat angles P-C4'-P energy: -92.891
tors. eta vs tors. theta energy: -202.836
Dist. restrs. and SS energy: 10.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -2122.059317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.059317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.640943 (E_RNA)
where:
Base-Base interactions energy: -1512.385
where: short stacking energy: -589.034
Base-Backbone interact. energy: 0.543
local terms energy: -627.798607
where:
bonds (distance) C4'-P energy: -102.017
bonds (distance) P-C4' energy: -120.176
flat angles C4'-P-C4' energy: -132.981
flat angles P-C4'-P energy: -102.787
tors. eta vs tors. theta energy: -169.838
Dist. restrs. and SS energy: 17.582 (S_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: -2107.802945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.802945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.012409 (E_RNA)
where:
Base-Base interactions energy: -1489.750
where: short stacking energy: -572.626
Base-Backbone interact. energy: -2.284
local terms energy: -632.978096
where:
bonds (distance) C4'-P energy: -104.399
bonds (distance) P-C4' energy: -128.044
flat angles C4'-P-C4' energy: -135.229
flat angles P-C4'-P energy: -79.610
tors. eta vs tors. theta energy: -185.696
Dist. restrs. and SS energy: 17.209 (S_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: 261
Temperature: 0.900000
Total energy: -2793.863162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.863162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.519987 (E_RNA)
where:
Base-Base interactions energy: -1974.337
where: short stacking energy: -807.901
Base-Backbone interact. energy: -1.374
local terms energy: -828.809301
where:
bonds (distance) C4'-P energy: -139.220
bonds (distance) P-C4' energy: -142.205
flat angles C4'-P-C4' energy: -166.597
flat angles P-C4'-P energy: -121.778
tors. eta vs tors. theta energy: -259.010
Dist. restrs. and SS energy: 10.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2682.471471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.471471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.168289 (E_RNA)
where:
Base-Base interactions energy: -1889.944
where: short stacking energy: -774.632
Base-Backbone interact. energy: -2.483
local terms energy: -795.741669
where:
bonds (distance) C4'-P energy: -129.837
bonds (distance) P-C4' energy: -133.022
flat angles C4'-P-C4' energy: -177.714
flat angles P-C4'-P energy: -107.060
tors. eta vs tors. theta energy: -248.108
Dist. restrs. and SS energy: 5.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2642.672797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.672797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.040272 (E_RNA)
where:
Base-Base interactions energy: -1844.696
where: short stacking energy: -765.129
Base-Backbone interact. energy: -4.020
local terms energy: -805.324196
where:
bonds (distance) C4'-P energy: -142.754
bonds (distance) P-C4' energy: -132.545
flat angles C4'-P-C4' energy: -164.538
flat angles P-C4'-P energy: -122.391
tors. eta vs tors. theta energy: -243.096
Dist. restrs. and SS energy: 11.367 (S_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: 261
Temperature: 1.050000
Total energy: -2599.958456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.958456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.098822 (E_RNA)
where:
Base-Base interactions energy: -1821.370
where: short stacking energy: -752.296
Base-Backbone interact. energy: -4.070
local terms energy: -780.658883
where:
bonds (distance) C4'-P energy: -137.744
bonds (distance) P-C4' energy: -129.324
flat angles C4'-P-C4' energy: -161.898
flat angles P-C4'-P energy: -109.662
tors. eta vs tors. theta energy: -242.031
Dist. restrs. and SS energy: 6.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2532.552197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.665060 (E_RNA)
where:
Base-Base interactions energy: -1783.244
where: short stacking energy: -730.961
Base-Backbone interact. energy: -1.597
local terms energy: -758.824666
where:
bonds (distance) C4'-P energy: -118.665
bonds (distance) P-C4' energy: -144.523
flat angles C4'-P-C4' energy: -159.512
flat angles P-C4'-P energy: -104.185
tors. eta vs tors. theta energy: -231.941
Dist. restrs. and SS energy: 11.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2426.311060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.311060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.671727 (E_RNA)
where:
Base-Base interactions energy: -1738.055
where: short stacking energy: -686.656
Base-Backbone interact. energy: 2.290
local terms energy: -700.906541
where:
bonds (distance) C4'-P energy: -126.095
bonds (distance) P-C4' energy: -124.424
flat angles C4'-P-C4' energy: -148.922
flat angles P-C4'-P energy: -96.768
tors. eta vs tors. theta energy: -204.697
Dist. restrs. and SS energy: 10.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2291.519169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.519169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.913150 (E_RNA)
where:
Base-Base interactions energy: -1637.543
where: short stacking energy: -649.979
Base-Backbone interact. energy: -1.535
local terms energy: -657.834873
where:
bonds (distance) C4'-P energy: -124.568
bonds (distance) P-C4' energy: -113.736
flat angles C4'-P-C4' energy: -127.767
flat angles P-C4'-P energy: -91.088
tors. eta vs tors. theta energy: -200.675
Dist. restrs. and SS energy: 5.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -2300.215213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.215213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.334810 (E_RNA)
where:
Base-Base interactions energy: -1662.897
where: short stacking energy: -676.739
Base-Backbone interact. energy: -0.883
local terms energy: -649.555262
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -127.530
flat angles C4'-P-C4' energy: -139.063
flat angles P-C4'-P energy: -82.710
tors. eta vs tors. theta energy: -205.828
Dist. restrs. and SS energy: 13.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -2080.712408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.712408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.766832 (E_RNA)
where:
Base-Base interactions energy: -1515.178
where: short stacking energy: -593.961
Base-Backbone interact. energy: -2.560
local terms energy: -572.029168
where:
bonds (distance) C4'-P energy: -97.782
bonds (distance) P-C4' energy: -106.389
flat angles C4'-P-C4' energy: -112.716
flat angles P-C4'-P energy: -79.019
tors. eta vs tors. theta energy: -176.124
Dist. restrs. and SS energy: 9.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -2087.690560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.690560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.306010 (E_RNA)
where:
Base-Base interactions energy: -1491.382
where: short stacking energy: -572.086
Base-Backbone interact. energy: -2.363
local terms energy: -600.560263
where:
bonds (distance) C4'-P energy: -106.935
bonds (distance) P-C4' energy: -117.919
flat angles C4'-P-C4' energy: -114.844
flat angles P-C4'-P energy: -79.998
tors. eta vs tors. theta energy: -180.864
Dist. restrs. and SS energy: 6.615 (S_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: 262
Temperature: 0.900000
Total energy: -2808.863752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.863752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.967585 (E_RNA)
where:
Base-Base interactions energy: -1968.948
where: short stacking energy: -816.358
Base-Backbone interact. energy: -1.122
local terms energy: -847.897483
where:
bonds (distance) C4'-P energy: -133.068
bonds (distance) P-C4' energy: -149.459
flat angles C4'-P-C4' energy: -181.349
flat angles P-C4'-P energy: -120.511
tors. eta vs tors. theta energy: -263.510
Dist. restrs. and SS energy: 9.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2690.145674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.145674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.854340 (E_RNA)
where:
Base-Base interactions energy: -1878.870
where: short stacking energy: -777.075
Base-Backbone interact. energy: -2.953
local terms energy: -811.032076
where:
bonds (distance) C4'-P energy: -141.159
bonds (distance) P-C4' energy: -139.077
flat angles C4'-P-C4' energy: -174.302
flat angles P-C4'-P energy: -113.188
tors. eta vs tors. theta energy: -243.306
Dist. restrs. and SS energy: 2.709 (S_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: 262
Temperature: 1.000000
Total energy: -2609.138668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.138668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.192419 (E_RNA)
where:
Base-Base interactions energy: -1858.645
where: short stacking energy: -772.793
Base-Backbone interact. energy: -4.371
local terms energy: -756.176466
where:
bonds (distance) C4'-P energy: -128.522
bonds (distance) P-C4' energy: -111.266
flat angles C4'-P-C4' energy: -163.021
flat angles P-C4'-P energy: -112.675
tors. eta vs tors. theta energy: -240.693
Dist. restrs. and SS energy: 10.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2607.545995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.545995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.254981 (E_RNA)
where:
Base-Base interactions energy: -1840.674
where: short stacking energy: -738.140
Base-Backbone interact. energy: -3.184
local terms energy: -769.396634
where:
bonds (distance) C4'-P energy: -134.389
bonds (distance) P-C4' energy: -129.742
flat angles C4'-P-C4' energy: -153.989
flat angles P-C4'-P energy: -108.842
tors. eta vs tors. theta energy: -242.434
Dist. restrs. and SS energy: 5.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2507.598356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.598356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.896561 (E_RNA)
where:
Base-Base interactions energy: -1751.992
where: short stacking energy: -700.176
Base-Backbone interact. energy: -4.386
local terms energy: -760.518793
where:
bonds (distance) C4'-P energy: -135.123
bonds (distance) P-C4' energy: -146.486
flat angles C4'-P-C4' energy: -143.992
flat angles P-C4'-P energy: -112.616
tors. eta vs tors. theta energy: -222.301
Dist. restrs. and SS energy: 9.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2454.828892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.828892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.005338 (E_RNA)
where:
Base-Base interactions energy: -1753.655
where: short stacking energy: -714.406
Base-Backbone interact. energy: -0.890
local terms energy: -709.460678
where:
bonds (distance) C4'-P energy: -123.305
bonds (distance) P-C4' energy: -117.855
flat angles C4'-P-C4' energy: -148.927
flat angles P-C4'-P energy: -103.262
tors. eta vs tors. theta energy: -216.112
Dist. restrs. and SS energy: 9.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2336.434444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.434444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.828311 (E_RNA)
where:
Base-Base interactions energy: -1634.765
where: short stacking energy: -668.991
Base-Backbone interact. energy: -2.385
local terms energy: -707.678665
where:
bonds (distance) C4'-P energy: -125.331
bonds (distance) P-C4' energy: -121.428
flat angles C4'-P-C4' energy: -156.102
flat angles P-C4'-P energy: -98.363
tors. eta vs tors. theta energy: -206.454
Dist. restrs. and SS energy: 8.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -2245.028114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.028114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.209934 (E_RNA)
where:
Base-Base interactions energy: -1588.104
where: short stacking energy: -622.598
Base-Backbone interact. energy: -3.297
local terms energy: -673.808697
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -131.783
flat angles C4'-P-C4' energy: -149.091
flat angles P-C4'-P energy: -75.250
tors. eta vs tors. theta energy: -198.509
Dist. restrs. and SS energy: 20.182 (S_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: 262
Temperature: 1.300000
Total energy: -2098.749062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.749062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.303346 (E_RNA)
where:
Base-Base interactions energy: -1497.445
where: short stacking energy: -576.571
Base-Backbone interact. energy: -2.756
local terms energy: -606.103138
where:
bonds (distance) C4'-P energy: -98.713
bonds (distance) P-C4' energy: -116.321
flat angles C4'-P-C4' energy: -134.661
flat angles P-C4'-P energy: -84.628
tors. eta vs tors. theta energy: -171.780
Dist. restrs. and SS energy: 7.554 (S_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: 262
Temperature: 1.350000
Total energy: -2098.559941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.559941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.051849 (E_RNA)
where:
Base-Base interactions energy: -1499.805
where: short stacking energy: -609.631
Base-Backbone interact. energy: 0.567
local terms energy: -612.813423
where:
bonds (distance) C4'-P energy: -114.473
bonds (distance) P-C4' energy: -97.998
flat angles C4'-P-C4' energy: -111.132
flat angles P-C4'-P energy: -96.973
tors. eta vs tors. theta energy: -192.237
Dist. restrs. and SS energy: 13.492 (S_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: 263
Temperature: 0.900000
Total energy: -2777.427713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.427713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.514806 (E_RNA)
where:
Base-Base interactions energy: -1957.120
where: short stacking energy: -806.498
Base-Backbone interact. energy: -4.303
local terms energy: -825.092339
where:
bonds (distance) C4'-P energy: -132.227
bonds (distance) P-C4' energy: -146.404
flat angles C4'-P-C4' energy: -168.803
flat angles P-C4'-P energy: -121.780
tors. eta vs tors. theta energy: -255.878
Dist. restrs. and SS energy: 9.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2687.984186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.984186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.209393 (E_RNA)
where:
Base-Base interactions energy: -1892.540
where: short stacking energy: -782.526
Base-Backbone interact. energy: -2.844
local terms energy: -795.825548
where:
bonds (distance) C4'-P energy: -130.214
bonds (distance) P-C4' energy: -150.139
flat angles C4'-P-C4' energy: -164.240
flat angles P-C4'-P energy: -106.020
tors. eta vs tors. theta energy: -245.213
Dist. restrs. and SS energy: 3.225 (S_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: 263
Temperature: 1.000000
Total energy: -2620.850110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.850110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.979238 (E_RNA)
where:
Base-Base interactions energy: -1853.245
where: short stacking energy: -734.771
Base-Backbone interact. energy: -2.191
local terms energy: -776.543492
where:
bonds (distance) C4'-P energy: -128.203
bonds (distance) P-C4' energy: -131.531
flat angles C4'-P-C4' energy: -164.691
flat angles P-C4'-P energy: -117.190
tors. eta vs tors. theta energy: -234.928
Dist. restrs. and SS energy: 11.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2550.162421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.162421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.851314 (E_RNA)
where:
Base-Base interactions energy: -1814.804
where: short stacking energy: -733.685
Base-Backbone interact. energy: 1.821
local terms energy: -742.868084
where:
bonds (distance) C4'-P energy: -110.989
bonds (distance) P-C4' energy: -133.605
flat angles C4'-P-C4' energy: -155.380
flat angles P-C4'-P energy: -110.134
tors. eta vs tors. theta energy: -232.760
Dist. restrs. and SS energy: 5.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2502.654692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.654692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.343845 (E_RNA)
where:
Base-Base interactions energy: -1774.805
where: short stacking energy: -715.710
Base-Backbone interact. energy: -4.160
local terms energy: -733.379072
where:
bonds (distance) C4'-P energy: -119.525
bonds (distance) P-C4' energy: -116.616
flat angles C4'-P-C4' energy: -154.209
flat angles P-C4'-P energy: -114.776
tors. eta vs tors. theta energy: -228.253
Dist. restrs. and SS energy: 9.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2423.908613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.908613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.797191 (E_RNA)
where:
Base-Base interactions energy: -1733.593
where: short stacking energy: -701.201
Base-Backbone interact. energy: -1.200
local terms energy: -701.004809
where:
bonds (distance) C4'-P energy: -110.729
bonds (distance) P-C4' energy: -105.085
flat angles C4'-P-C4' energy: -157.503
flat angles P-C4'-P energy: -118.300
tors. eta vs tors. theta energy: -209.388
Dist. restrs. and SS energy: 11.889 (S_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: 263
Temperature: 1.200000
Total energy: -2356.427199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.427199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.032164 (E_RNA)
where:
Base-Base interactions energy: -1666.559
where: short stacking energy: -682.666
Base-Backbone interact. energy: 0.662
local terms energy: -698.135863
where:
bonds (distance) C4'-P energy: -102.884
bonds (distance) P-C4' energy: -125.697
flat angles C4'-P-C4' energy: -154.405
flat angles P-C4'-P energy: -102.349
tors. eta vs tors. theta energy: -212.800
Dist. restrs. and SS energy: 7.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -2283.006915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.006915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.492948 (E_RNA)
where:
Base-Base interactions energy: -1627.147
where: short stacking energy: -645.582
Base-Backbone interact. energy: -1.008
local terms energy: -671.337703
where:
bonds (distance) C4'-P energy: -121.386
bonds (distance) P-C4' energy: -126.668
flat angles C4'-P-C4' energy: -133.372
flat angles P-C4'-P energy: -91.104
tors. eta vs tors. theta energy: -198.807
Dist. restrs. and SS energy: 16.486 (S_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: 263
Temperature: 1.300000
Total energy: -2137.047809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.047809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.157625 (E_RNA)
where:
Base-Base interactions energy: -1544.946
where: short stacking energy: -598.095
Base-Backbone interact. energy: -2.303
local terms energy: -599.908575
where:
bonds (distance) C4'-P energy: -98.527
bonds (distance) P-C4' energy: -96.275
flat angles C4'-P-C4' energy: -142.597
flat angles P-C4'-P energy: -86.200
tors. eta vs tors. theta energy: -176.310
Dist. restrs. and SS energy: 10.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -2089.312502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.312502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.763385 (E_RNA)
where:
Base-Base interactions energy: -1510.919
where: short stacking energy: -590.980
Base-Backbone interact. energy: 5.590
local terms energy: -596.434891
where:
bonds (distance) C4'-P energy: -109.657
bonds (distance) P-C4' energy: -95.647
flat angles C4'-P-C4' energy: -128.755
flat angles P-C4'-P energy: -85.907
tors. eta vs tors. theta energy: -176.469
Dist. restrs. and SS energy: 12.451 (S_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: 264
Temperature: 0.900000
Total energy: -2788.427521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.427521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.237985 (E_RNA)
where:
Base-Base interactions energy: -1966.060
where: short stacking energy: -833.011
Base-Backbone interact. energy: -4.213
local terms energy: -824.965007
where:
bonds (distance) C4'-P energy: -132.018
bonds (distance) P-C4' energy: -149.496
flat angles C4'-P-C4' energy: -168.333
flat angles P-C4'-P energy: -129.584
tors. eta vs tors. theta energy: -245.533
Dist. restrs. and SS energy: 6.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2671.040153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.040153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.103149 (E_RNA)
where:
Base-Base interactions energy: -1888.925
where: short stacking energy: -795.004
Base-Backbone interact. energy: 4.583
local terms energy: -789.761293
where:
bonds (distance) C4'-P energy: -139.984
bonds (distance) P-C4' energy: -132.697
flat angles C4'-P-C4' energy: -164.005
flat angles P-C4'-P energy: -113.488
tors. eta vs tors. theta energy: -239.587
Dist. restrs. and SS energy: 3.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2617.203684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.203684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.298813 (E_RNA)
where:
Base-Base interactions energy: -1856.030
where: short stacking energy: -776.393
Base-Backbone interact. energy: -0.482
local terms energy: -773.786210
where:
bonds (distance) C4'-P energy: -145.470
bonds (distance) P-C4' energy: -134.295
flat angles C4'-P-C4' energy: -155.675
flat angles P-C4'-P energy: -100.255
tors. eta vs tors. theta energy: -238.092
Dist. restrs. and SS energy: 13.095 (S_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: 264
Temperature: 1.050000
Total energy: -2553.040041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.040041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.518635 (E_RNA)
where:
Base-Base interactions energy: -1813.325
where: short stacking energy: -746.919
Base-Backbone interact. energy: -1.209
local terms energy: -746.984712
where:
bonds (distance) C4'-P energy: -124.215
bonds (distance) P-C4' energy: -120.017
flat angles C4'-P-C4' energy: -158.911
flat angles P-C4'-P energy: -105.342
tors. eta vs tors. theta energy: -238.500
Dist. restrs. and SS energy: 8.479 (S_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: 264
Temperature: 1.100000
Total energy: -2528.433009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.433009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.989493 (E_RNA)
where:
Base-Base interactions energy: -1802.696
where: short stacking energy: -735.942
Base-Backbone interact. energy: -2.278
local terms energy: -735.016113
where:
bonds (distance) C4'-P energy: -128.148
bonds (distance) P-C4' energy: -118.488
flat angles C4'-P-C4' energy: -160.616
flat angles P-C4'-P energy: -98.344
tors. eta vs tors. theta energy: -229.420
Dist. restrs. and SS energy: 11.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2428.383874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.383874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.777625 (E_RNA)
where:
Base-Base interactions energy: -1705.031
where: short stacking energy: -690.550
Base-Backbone interact. energy: 0.972
local terms energy: -734.718755
where:
bonds (distance) C4'-P energy: -124.888
bonds (distance) P-C4' energy: -121.469
flat angles C4'-P-C4' energy: -155.213
flat angles P-C4'-P energy: -116.528
tors. eta vs tors. theta energy: -216.621
Dist. restrs. and SS energy: 10.394 (S_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: 264
Temperature: 1.200000
Total energy: -2322.980761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.980761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.133432 (E_RNA)
where:
Base-Base interactions energy: -1702.902
where: short stacking energy: -667.108
Base-Backbone interact. energy: -1.069
local terms energy: -625.163017
where:
bonds (distance) C4'-P energy: -103.318
bonds (distance) P-C4' energy: -106.098
flat angles C4'-P-C4' energy: -140.094
flat angles P-C4'-P energy: -66.377
tors. eta vs tors. theta energy: -209.277
Dist. restrs. and SS energy: 6.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2266.132522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.132522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.225027 (E_RNA)
where:
Base-Base interactions energy: -1608.055
where: short stacking energy: -647.864
Base-Backbone interact. energy: -3.907
local terms energy: -667.263452
where:
bonds (distance) C4'-P energy: -120.613
bonds (distance) P-C4' energy: -113.851
flat angles C4'-P-C4' energy: -135.908
flat angles P-C4'-P energy: -89.273
tors. eta vs tors. theta energy: -207.619
Dist. restrs. and SS energy: 13.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -2150.413673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.413673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.291209 (E_RNA)
where:
Base-Base interactions energy: -1570.702
where: short stacking energy: -623.755
Base-Backbone interact. energy: -2.516
local terms energy: -591.073984
where:
bonds (distance) C4'-P energy: -109.651
bonds (distance) P-C4' energy: -97.853
flat angles C4'-P-C4' energy: -128.799
flat angles P-C4'-P energy: -70.735
tors. eta vs tors. theta energy: -184.036
Dist. restrs. and SS energy: 13.878 (S_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: -2114.637977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.637977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.050930 (E_RNA)
where:
Base-Base interactions energy: -1507.489
where: short stacking energy: -601.723
Base-Backbone interact. energy: -3.061
local terms energy: -615.500945
where:
bonds (distance) C4'-P energy: -109.871
bonds (distance) P-C4' energy: -102.646
flat angles C4'-P-C4' energy: -130.226
flat angles P-C4'-P energy: -85.839
tors. eta vs tors. theta energy: -186.919
Dist. restrs. and SS energy: 11.413 (S_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: 265
Temperature: 0.900000
Total energy: -2778.461317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.461317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.135561 (E_RNA)
where:
Base-Base interactions energy: -1953.236
where: short stacking energy: -802.353
Base-Backbone interact. energy: -3.082
local terms energy: -826.817893
where:
bonds (distance) C4'-P energy: -142.252
bonds (distance) P-C4' energy: -145.173
flat angles C4'-P-C4' energy: -160.519
flat angles P-C4'-P energy: -129.104
tors. eta vs tors. theta energy: -249.770
Dist. restrs. and SS energy: 4.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2658.477479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.477479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.260693 (E_RNA)
where:
Base-Base interactions energy: -1857.549
where: short stacking energy: -768.406
Base-Backbone interact. energy: -0.648
local terms energy: -812.064164
where:
bonds (distance) C4'-P energy: -139.189
bonds (distance) P-C4' energy: -147.056
flat angles C4'-P-C4' energy: -164.807
flat angles P-C4'-P energy: -120.270
tors. eta vs tors. theta energy: -240.743
Dist. restrs. and SS energy: 11.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2642.515566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.515566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.220654 (E_RNA)
where:
Base-Base interactions energy: -1887.618
where: short stacking energy: -763.227
Base-Backbone interact. energy: -3.652
local terms energy: -754.950433
where:
bonds (distance) C4'-P energy: -123.947
bonds (distance) P-C4' energy: -123.912
flat angles C4'-P-C4' energy: -170.971
flat angles P-C4'-P energy: -105.317
tors. eta vs tors. theta energy: -230.803
Dist. restrs. and SS energy: 3.705 (S_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: 265
Temperature: 1.050000
Total energy: -2538.233475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.233475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.530520 (E_RNA)
where:
Base-Base interactions energy: -1784.609
where: short stacking energy: -728.988
Base-Backbone interact. energy: -4.949
local terms energy: -754.972534
where:
bonds (distance) C4'-P energy: -137.800
bonds (distance) P-C4' energy: -120.912
flat angles C4'-P-C4' energy: -154.599
flat angles P-C4'-P energy: -107.987
tors. eta vs tors. theta energy: -233.675
Dist. restrs. and SS energy: 6.297 (S_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: 265
Temperature: 1.100000
Total energy: -2545.165118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.165118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.778547 (E_RNA)
where:
Base-Base interactions energy: -1813.377
where: short stacking energy: -730.468
Base-Backbone interact. energy: 1.984
local terms energy: -745.384796
where:
bonds (distance) C4'-P energy: -134.500
bonds (distance) P-C4' energy: -110.880
flat angles C4'-P-C4' energy: -147.671
flat angles P-C4'-P energy: -117.436
tors. eta vs tors. theta energy: -234.898
Dist. restrs. and SS energy: 11.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2414.266472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.266472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.053311 (E_RNA)
where:
Base-Base interactions energy: -1714.216
where: short stacking energy: -690.901
Base-Backbone interact. energy: -3.403
local terms energy: -705.433688
where:
bonds (distance) C4'-P energy: -119.128
bonds (distance) P-C4' energy: -116.243
flat angles C4'-P-C4' energy: -141.287
flat angles P-C4'-P energy: -108.379
tors. eta vs tors. theta energy: -220.397
Dist. restrs. and SS energy: 8.787 (S_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: 265
Temperature: 1.200000
Total energy: -2315.869382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.869382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.563769 (E_RNA)
where:
Base-Base interactions energy: -1634.393
where: short stacking energy: -668.265
Base-Backbone interact. energy: -2.066
local terms energy: -692.103991
where:
bonds (distance) C4'-P energy: -130.847
bonds (distance) P-C4' energy: -110.732
flat angles C4'-P-C4' energy: -143.324
flat angles P-C4'-P energy: -106.224
tors. eta vs tors. theta energy: -200.977
Dist. restrs. and SS energy: 12.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2261.600582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.600582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.591152 (E_RNA)
where:
Base-Base interactions energy: -1626.508
where: short stacking energy: -642.290
Base-Backbone interact. energy: -1.987
local terms energy: -644.096824
where:
bonds (distance) C4'-P energy: -108.600
bonds (distance) P-C4' energy: -115.542
flat angles C4'-P-C4' energy: -140.059
flat angles P-C4'-P energy: -83.634
tors. eta vs tors. theta energy: -196.262
Dist. restrs. and SS energy: 10.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -2157.322947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.322947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.489055 (E_RNA)
where:
Base-Base interactions energy: -1543.919
where: short stacking energy: -625.729
Base-Backbone interact. energy: -2.051
local terms energy: -625.519055
where:
bonds (distance) C4'-P energy: -104.495
bonds (distance) P-C4' energy: -90.396
flat angles C4'-P-C4' energy: -152.743
flat angles P-C4'-P energy: -88.208
tors. eta vs tors. theta energy: -189.677
Dist. restrs. and SS energy: 14.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -2141.378269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.378269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.271098 (E_RNA)
where:
Base-Base interactions energy: -1514.576
where: short stacking energy: -608.237
Base-Backbone interact. energy: -3.346
local terms energy: -636.349412
where:
bonds (distance) C4'-P energy: -110.733
bonds (distance) P-C4' energy: -102.298
flat angles C4'-P-C4' energy: -139.908
flat angles P-C4'-P energy: -97.993
tors. eta vs tors. theta energy: -185.418
Dist. restrs. and SS energy: 12.893 (S_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: 266
Temperature: 0.900000
Total energy: -2783.119739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.119739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.223833 (E_RNA)
where:
Base-Base interactions energy: -1966.392
where: short stacking energy: -842.473
Base-Backbone interact. energy: -0.891
local terms energy: -820.940908
where:
bonds (distance) C4'-P energy: -149.542
bonds (distance) P-C4' energy: -122.186
flat angles C4'-P-C4' energy: -172.189
flat angles P-C4'-P energy: -119.288
tors. eta vs tors. theta energy: -257.736
Dist. restrs. and SS energy: 5.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2661.027777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.027777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.036156 (E_RNA)
where:
Base-Base interactions energy: -1884.522
where: short stacking energy: -787.811
Base-Backbone interact. energy: 0.263
local terms energy: -785.776388
where:
bonds (distance) C4'-P energy: -136.976
bonds (distance) P-C4' energy: -138.851
flat angles C4'-P-C4' energy: -160.660
flat angles P-C4'-P energy: -104.408
tors. eta vs tors. theta energy: -244.881
Dist. restrs. and SS energy: 9.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2651.499738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.499738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.721861 (E_RNA)
where:
Base-Base interactions energy: -1889.995
where: short stacking energy: -782.812
Base-Backbone interact. energy: 0.162
local terms energy: -764.888107
where:
bonds (distance) C4'-P energy: -120.398
bonds (distance) P-C4' energy: -125.554
flat angles C4'-P-C4' energy: -162.913
flat angles P-C4'-P energy: -115.888
tors. eta vs tors. theta energy: -240.136
Dist. restrs. and SS energy: 3.222 (S_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: 266
Temperature: 1.050000
Total energy: -2555.241322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.241322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.968123 (E_RNA)
where:
Base-Base interactions energy: -1807.722
where: short stacking energy: -722.543
Base-Backbone interact. energy: -1.695
local terms energy: -750.551296
where:
bonds (distance) C4'-P energy: -126.982
bonds (distance) P-C4' energy: -134.756
flat angles C4'-P-C4' energy: -151.599
flat angles P-C4'-P energy: -107.391
tors. eta vs tors. theta energy: -229.824
Dist. restrs. and SS energy: 4.727 (S_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: 266
Temperature: 1.100000
Total energy: -2513.644955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.644955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.228756 (E_RNA)
where:
Base-Base interactions energy: -1803.425
where: short stacking energy: -732.483
Base-Backbone interact. energy: -2.454
local terms energy: -717.349938
where:
bonds (distance) C4'-P energy: -119.896
bonds (distance) P-C4' energy: -120.095
flat angles C4'-P-C4' energy: -143.802
flat angles P-C4'-P energy: -104.294
tors. eta vs tors. theta energy: -229.264
Dist. restrs. and SS energy: 9.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2398.507563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.507563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.539956 (E_RNA)
where:
Base-Base interactions energy: -1715.957
where: short stacking energy: -697.219
Base-Backbone interact. energy: -2.748
local terms energy: -691.835389
where:
bonds (distance) C4'-P energy: -116.668
bonds (distance) P-C4' energy: -124.973
flat angles C4'-P-C4' energy: -153.081
flat angles P-C4'-P energy: -92.042
tors. eta vs tors. theta energy: -205.072
Dist. restrs. and SS energy: 12.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2346.133820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.133820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.812242 (E_RNA)
where:
Base-Base interactions energy: -1714.766
where: short stacking energy: -706.132
Base-Backbone interact. energy: -1.516
local terms energy: -638.529434
where:
bonds (distance) C4'-P energy: -91.299
bonds (distance) P-C4' energy: -112.355
flat angles C4'-P-C4' energy: -131.327
flat angles P-C4'-P energy: -97.641
tors. eta vs tors. theta energy: -205.908
Dist. restrs. and SS energy: 8.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -2235.353003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.353003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.632793 (E_RNA)
where:
Base-Base interactions energy: -1601.843
where: short stacking energy: -661.107
Base-Backbone interact. energy: -2.196
local terms energy: -643.593623
where:
bonds (distance) C4'-P energy: -117.560
bonds (distance) P-C4' energy: -103.799
flat angles C4'-P-C4' energy: -140.283
flat angles P-C4'-P energy: -88.720
tors. eta vs tors. theta energy: -193.232
Dist. restrs. and SS energy: 12.280 (S_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: 266
Temperature: 1.300000
Total energy: -2136.146822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.146822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.212305 (E_RNA)
where:
Base-Base interactions energy: -1513.937
where: short stacking energy: -600.382
Base-Backbone interact. energy: 3.458
local terms energy: -637.733015
where:
bonds (distance) C4'-P energy: -110.414
bonds (distance) P-C4' energy: -131.405
flat angles C4'-P-C4' energy: -116.179
flat angles P-C4'-P energy: -89.339
tors. eta vs tors. theta energy: -190.397
Dist. restrs. and SS energy: 12.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -2150.883445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.883445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.616908 (E_RNA)
where:
Base-Base interactions energy: -1522.501
where: short stacking energy: -611.959
Base-Backbone interact. energy: -3.052
local terms energy: -637.063718
where:
bonds (distance) C4'-P energy: -113.955
bonds (distance) P-C4' energy: -99.403
flat angles C4'-P-C4' energy: -146.051
flat angles P-C4'-P energy: -84.950
tors. eta vs tors. theta energy: -192.705
Dist. restrs. and SS energy: 11.733 (S_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: 267
Temperature: 0.900000
Total energy: -2803.600046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.600046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.458499 (E_RNA)
where:
Base-Base interactions energy: -1962.657
where: short stacking energy: -827.407
Base-Backbone interact. energy: -0.859
local terms energy: -845.943056
where:
bonds (distance) C4'-P energy: -147.068
bonds (distance) P-C4' energy: -148.553
flat angles C4'-P-C4' energy: -178.467
flat angles P-C4'-P energy: -116.264
tors. eta vs tors. theta energy: -255.592
Dist. restrs. and SS energy: 5.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2658.534830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.534830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.174078 (E_RNA)
where:
Base-Base interactions energy: -1850.811
where: short stacking energy: -776.461
Base-Backbone interact. energy: -3.860
local terms energy: -807.503550
where:
bonds (distance) C4'-P energy: -134.436
bonds (distance) P-C4' energy: -139.414
flat angles C4'-P-C4' energy: -171.827
flat angles P-C4'-P energy: -123.084
tors. eta vs tors. theta energy: -238.742
Dist. restrs. and SS energy: 3.639 (S_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: 267
Temperature: 1.000000
Total energy: -2600.135454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.135454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.829885 (E_RNA)
where:
Base-Base interactions energy: -1845.529
where: short stacking energy: -755.817
Base-Backbone interact. energy: -0.036
local terms energy: -765.264747
where:
bonds (distance) C4'-P energy: -128.001
bonds (distance) P-C4' energy: -133.828
flat angles C4'-P-C4' energy: -153.794
flat angles P-C4'-P energy: -115.605
tors. eta vs tors. theta energy: -234.037
Dist. restrs. and SS energy: 10.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2534.784919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.784919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.643410 (E_RNA)
where:
Base-Base interactions energy: -1795.623
where: short stacking energy: -716.783
Base-Backbone interact. energy: -2.355
local terms energy: -748.665631
where:
bonds (distance) C4'-P energy: -130.695
bonds (distance) P-C4' energy: -143.129
flat angles C4'-P-C4' energy: -157.867
flat angles P-C4'-P energy: -100.013
tors. eta vs tors. theta energy: -216.962
Dist. restrs. and SS energy: 11.858 (S_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: 267
Temperature: 1.100000
Total energy: -2525.184540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.184540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.168338 (E_RNA)
where:
Base-Base interactions energy: -1803.922
where: short stacking energy: -727.166
Base-Backbone interact. energy: 1.855
local terms energy: -728.101009
where:
bonds (distance) C4'-P energy: -124.221
bonds (distance) P-C4' energy: -113.661
flat angles C4'-P-C4' energy: -153.454
flat angles P-C4'-P energy: -108.031
tors. eta vs tors. theta energy: -228.735
Dist. restrs. and SS energy: 4.984 (S_DIST_RNA)
chem. 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: -2400.130353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.130353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.287301 (E_RNA)
where:
Base-Base interactions energy: -1701.707
where: short stacking energy: -675.879
Base-Backbone interact. energy: -1.743
local terms energy: -702.837129
where:
bonds (distance) C4'-P energy: -114.378
bonds (distance) P-C4' energy: -130.507
flat angles C4'-P-C4' energy: -151.250
flat angles P-C4'-P energy: -90.258
tors. eta vs tors. theta energy: -216.444
Dist. restrs. and SS energy: 6.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2373.245086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.245086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.691762 (E_RNA)
where:
Base-Base interactions energy: -1674.829
where: short stacking energy: -680.833
Base-Backbone interact. energy: 2.153
local terms energy: -711.016145
where:
bonds (distance) C4'-P energy: -126.955
bonds (distance) P-C4' energy: -121.172
flat angles C4'-P-C4' energy: -140.053
flat angles P-C4'-P energy: -112.707
tors. eta vs tors. theta energy: -210.129
Dist. restrs. and SS energy: 10.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2247.237675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.237675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.577521 (E_RNA)
where:
Base-Base interactions energy: -1594.293
where: short stacking energy: -634.333
Base-Backbone interact. energy: -3.036
local terms energy: -658.248110
where:
bonds (distance) C4'-P energy: -107.252
bonds (distance) P-C4' energy: -112.743
flat angles C4'-P-C4' energy: -155.427
flat angles P-C4'-P energy: -89.862
tors. eta vs tors. theta energy: -192.964
Dist. restrs. and SS energy: 8.340 (S_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: 267
Temperature: 1.300000
Total energy: -2152.976285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.976285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.601611 (E_RNA)
where:
Base-Base interactions energy: -1537.059
where: short stacking energy: -603.176
Base-Backbone interact. energy: -1.714
local terms energy: -622.828593
where:
bonds (distance) C4'-P energy: -123.273
bonds (distance) P-C4' energy: -122.118
flat angles C4'-P-C4' energy: -118.870
flat angles P-C4'-P energy: -83.603
tors. eta vs tors. theta energy: -174.964
Dist. restrs. and SS energy: 8.625 (S_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: 267
Temperature: 1.350000
Total energy: -2105.402852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.402852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.078552 (E_RNA)
where:
Base-Base interactions energy: -1494.235
where: short stacking energy: -594.639
Base-Backbone interact. energy: -3.056
local terms energy: -617.787505
where:
bonds (distance) C4'-P energy: -115.174
bonds (distance) P-C4' energy: -106.132
flat angles C4'-P-C4' energy: -135.843
flat angles P-C4'-P energy: -73.233
tors. eta vs tors. theta energy: -187.404
Dist. restrs. and SS energy: 9.676 (S_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: 268
Temperature: 0.900000
Total energy: -2795.449502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.449502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.117024 (E_RNA)
where:
Base-Base interactions energy: -1985.884
where: short stacking energy: -845.059
Base-Backbone interact. energy: -0.711
local terms energy: -813.522381
where:
bonds (distance) C4'-P energy: -140.425
bonds (distance) P-C4' energy: -129.521
flat angles C4'-P-C4' energy: -165.712
flat angles P-C4'-P energy: -121.632
tors. eta vs tors. theta energy: -256.233
Dist. restrs. and SS energy: 4.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2677.516890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.516890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.692864 (E_RNA)
where:
Base-Base interactions energy: -1887.878
where: short stacking energy: -775.870
Base-Backbone interact. energy: -3.600
local terms energy: -791.215300
where:
bonds (distance) C4'-P energy: -142.266
bonds (distance) P-C4' energy: -135.010
flat angles C4'-P-C4' energy: -173.690
flat angles P-C4'-P energy: -104.178
tors. eta vs tors. theta energy: -236.071
Dist. restrs. and SS energy: 5.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2600.519502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.519502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.425491 (E_RNA)
where:
Base-Base interactions energy: -1849.175
where: short stacking energy: -745.210
Base-Backbone interact. energy: -2.966
local terms energy: -758.284013
where:
bonds (distance) C4'-P energy: -121.182
bonds (distance) P-C4' energy: -140.592
flat angles C4'-P-C4' energy: -160.834
flat angles P-C4'-P energy: -104.463
tors. eta vs tors. theta energy: -231.213
Dist. restrs. and SS energy: 9.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2559.533695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.533695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.546315 (E_RNA)
where:
Base-Base interactions energy: -1820.564
where: short stacking energy: -752.378
Base-Backbone interact. energy: 0.880
local terms energy: -748.862063
where:
bonds (distance) C4'-P energy: -128.866
bonds (distance) P-C4' energy: -121.190
flat angles C4'-P-C4' energy: -159.889
flat angles P-C4'-P energy: -96.630
tors. eta vs tors. theta energy: -242.287
Dist. restrs. and SS energy: 9.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2518.529259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.529259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.627297 (E_RNA)
where:
Base-Base interactions energy: -1783.777
where: short stacking energy: -743.382
Base-Backbone interact. energy: -3.940
local terms energy: -736.910189
where:
bonds (distance) C4'-P energy: -114.826
bonds (distance) P-C4' energy: -119.371
flat angles C4'-P-C4' energy: -151.839
flat angles P-C4'-P energy: -115.667
tors. eta vs tors. theta energy: -235.208
Dist. restrs. and SS energy: 6.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2390.183578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.183578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.507127 (E_RNA)
where:
Base-Base interactions energy: -1733.419
where: short stacking energy: -705.893
Base-Backbone interact. energy: 0.512
local terms energy: -663.600519
where:
bonds (distance) C4'-P energy: -116.191
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -148.964
flat angles P-C4'-P energy: -92.599
tors. eta vs tors. theta energy: -213.053
Dist. restrs. and SS energy: 6.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2363.002033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.002033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.519996 (E_RNA)
where:
Base-Base interactions energy: -1650.968
where: short stacking energy: -680.162
Base-Backbone interact. energy: -3.063
local terms energy: -718.489363
where:
bonds (distance) C4'-P energy: -123.904
bonds (distance) P-C4' energy: -135.512
flat angles C4'-P-C4' energy: -154.149
flat angles P-C4'-P energy: -89.361
tors. eta vs tors. theta energy: -215.563
Dist. restrs. and SS energy: 9.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -2310.124280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.124280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.598823 (E_RNA)
where:
Base-Base interactions energy: -1609.678
where: short stacking energy: -652.662
Base-Backbone interact. energy: -3.582
local terms energy: -708.339322
where:
bonds (distance) C4'-P energy: -131.215
bonds (distance) P-C4' energy: -126.330
flat angles C4'-P-C4' energy: -140.839
flat angles P-C4'-P energy: -107.613
tors. eta vs tors. theta energy: -202.342
Dist. restrs. and SS energy: 11.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -2093.733021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.733021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.316962 (E_RNA)
where:
Base-Base interactions energy: -1487.400
where: short stacking energy: -616.762
Base-Backbone interact. energy: -3.130
local terms energy: -610.787036
where:
bonds (distance) C4'-P energy: -106.067
bonds (distance) P-C4' energy: -101.213
flat angles C4'-P-C4' energy: -128.218
flat angles P-C4'-P energy: -82.256
tors. eta vs tors. theta energy: -193.032
Dist. restrs. and SS energy: 7.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -2064.342835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.342835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.945776 (E_RNA)
where:
Base-Base interactions energy: -1503.604
where: short stacking energy: -617.255
Base-Backbone interact. energy: -1.869
local terms energy: -569.472651
where:
bonds (distance) C4'-P energy: -100.022
bonds (distance) P-C4' energy: -90.341
flat angles C4'-P-C4' energy: -116.189
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -191.365
Dist. restrs. and SS energy: 10.603 (S_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: 269
Temperature: 0.900000
Total energy: -2786.369622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.369622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.302049 (E_RNA)
where:
Base-Base interactions energy: -1958.044
where: short stacking energy: -809.158
Base-Backbone interact. energy: 0.257
local terms energy: -832.514484
where:
bonds (distance) C4'-P energy: -143.112
bonds (distance) P-C4' energy: -137.075
flat angles C4'-P-C4' energy: -177.777
flat angles P-C4'-P energy: -122.846
tors. eta vs tors. theta energy: -251.704
Dist. restrs. and SS energy: 3.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2682.947409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.947409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.538560 (E_RNA)
where:
Base-Base interactions energy: -1893.720
where: short stacking energy: -756.790
Base-Backbone interact. energy: 0.224
local terms energy: -799.042676
where:
bonds (distance) C4'-P energy: -140.795
bonds (distance) P-C4' energy: -147.081
flat angles C4'-P-C4' energy: -159.439
flat angles P-C4'-P energy: -117.949
tors. eta vs tors. theta energy: -233.779
Dist. restrs. and SS energy: 9.591 (S_DIST_RNA)
chem. 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: -2644.201865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.201865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.753938 (E_RNA)
where:
Base-Base interactions energy: -1879.652
where: short stacking energy: -773.103
Base-Backbone interact. energy: -2.253
local terms energy: -769.848646
where:
bonds (distance) C4'-P energy: -117.596
bonds (distance) P-C4' energy: -122.057
flat angles C4'-P-C4' energy: -171.621
flat angles P-C4'-P energy: -116.878
tors. eta vs tors. theta energy: -241.696
Dist. restrs. and SS energy: 7.552 (S_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: 269
Temperature: 1.050000
Total energy: -2524.698536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.698536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.591280 (E_RNA)
where:
Base-Base interactions energy: -1785.839
where: short stacking energy: -714.306
Base-Backbone interact. energy: -1.399
local terms energy: -748.352758
where:
bonds (distance) C4'-P energy: -123.502
bonds (distance) P-C4' energy: -125.800
flat angles C4'-P-C4' energy: -159.318
flat angles P-C4'-P energy: -108.472
tors. eta vs tors. theta energy: -231.260
Dist. restrs. and SS energy: 10.893 (S_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: 269
Temperature: 1.100000
Total energy: -2475.598257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.598257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.871207 (E_RNA)
where:
Base-Base interactions energy: -1765.108
where: short stacking energy: -720.444
Base-Backbone interact. energy: -2.521
local terms energy: -720.242434
where:
bonds (distance) C4'-P energy: -119.501
bonds (distance) P-C4' energy: -130.838
flat angles C4'-P-C4' energy: -141.535
flat angles P-C4'-P energy: -101.674
tors. eta vs tors. theta energy: -226.696
Dist. restrs. and SS energy: 12.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2410.380557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.380557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.650057 (E_RNA)
where:
Base-Base interactions energy: -1686.023
where: short stacking energy: -681.353
Base-Backbone interact. energy: -0.028
local terms energy: -731.599097
where:
bonds (distance) C4'-P energy: -139.143
bonds (distance) P-C4' energy: -123.759
flat angles C4'-P-C4' energy: -155.777
flat angles P-C4'-P energy: -109.217
tors. eta vs tors. theta energy: -203.703
Dist. restrs. and SS energy: 7.269 (S_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: 269
Temperature: 1.200000
Total energy: -2314.812798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.812798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.714349 (E_RNA)
where:
Base-Base interactions energy: -1647.027
where: short stacking energy: -681.961
Base-Backbone interact. energy: 1.139
local terms energy: -678.826951
where:
bonds (distance) C4'-P energy: -106.071
bonds (distance) P-C4' energy: -131.368
flat angles C4'-P-C4' energy: -136.219
flat angles P-C4'-P energy: -97.492
tors. eta vs tors. theta energy: -207.677
Dist. restrs. and SS energy: 9.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2233.371230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.371230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.631007 (E_RNA)
where:
Base-Base interactions energy: -1615.780
where: short stacking energy: -644.723
Base-Backbone interact. energy: -1.991
local terms energy: -623.860474
where:
bonds (distance) C4'-P energy: -124.168
bonds (distance) P-C4' energy: -101.621
flat angles C4'-P-C4' energy: -121.929
flat angles P-C4'-P energy: -85.670
tors. eta vs tors. theta energy: -190.473
Dist. restrs. and SS energy: 8.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -2134.981028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.981028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.680300 (E_RNA)
where:
Base-Base interactions energy: -1520.805
where: short stacking energy: -621.945
Base-Backbone interact. energy: 2.458
local terms energy: -627.333601
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -117.811
flat angles C4'-P-C4' energy: -125.182
flat angles P-C4'-P energy: -88.622
tors. eta vs tors. theta energy: -186.093
Dist. restrs. and SS energy: 10.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -2124.729292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.729292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.497690 (E_RNA)
where:
Base-Base interactions energy: -1542.437
where: short stacking energy: -615.165
Base-Backbone interact. energy: 4.743
local terms energy: -598.803658
where:
bonds (distance) C4'-P energy: -101.531
bonds (distance) P-C4' energy: -115.137
flat angles C4'-P-C4' energy: -122.878
flat angles P-C4'-P energy: -87.731
tors. eta vs tors. theta energy: -171.527
Dist. restrs. and SS energy: 11.768 (S_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: 270
Temperature: 0.900000
Total energy: -2778.812440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.812440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.154334 (E_RNA)
where:
Base-Base interactions energy: -1955.121
where: short stacking energy: -800.005
Base-Backbone interact. energy: -3.150
local terms energy: -823.883294
where:
bonds (distance) C4'-P energy: -143.906
bonds (distance) P-C4' energy: -140.394
flat angles C4'-P-C4' energy: -163.707
flat angles P-C4'-P energy: -125.908
tors. eta vs tors. theta energy: -249.968
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2681.157615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.157615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.878918 (E_RNA)
where:
Base-Base interactions energy: -1899.199
where: short stacking energy: -782.186
Base-Backbone interact. energy: -0.764
local terms energy: -788.916252
where:
bonds (distance) C4'-P energy: -141.006
bonds (distance) P-C4' energy: -132.927
flat angles C4'-P-C4' energy: -155.992
flat angles P-C4'-P energy: -114.252
tors. eta vs tors. theta energy: -244.739
Dist. restrs. and SS energy: 7.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2683.922536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.922536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.442503 (E_RNA)
where:
Base-Base interactions energy: -1892.311
where: short stacking energy: -785.855
Base-Backbone interact. energy: -1.147
local terms energy: -799.985119
where:
bonds (distance) C4'-P energy: -130.454
bonds (distance) P-C4' energy: -134.879
flat angles C4'-P-C4' energy: -167.283
flat angles P-C4'-P energy: -123.931
tors. eta vs tors. theta energy: -243.438
Dist. restrs. and SS energy: 9.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2569.202235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.202235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.054963 (E_RNA)
where:
Base-Base interactions energy: -1807.564
where: short stacking energy: -749.849
Base-Backbone interact. energy: -0.683
local terms energy: -771.807751
where:
bonds (distance) C4'-P energy: -141.360
bonds (distance) P-C4' energy: -140.813
flat angles C4'-P-C4' energy: -156.765
flat angles P-C4'-P energy: -105.273
tors. eta vs tors. theta energy: -227.598
Dist. restrs. and SS energy: 10.853 (S_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: 270
Temperature: 1.100000
Total energy: -2457.031571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.031571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.151177 (E_RNA)
where:
Base-Base interactions energy: -1750.933
where: short stacking energy: -694.160
Base-Backbone interact. energy: 9.572
local terms energy: -725.789415
where:
bonds (distance) C4'-P energy: -120.776
bonds (distance) P-C4' energy: -126.025
flat angles C4'-P-C4' energy: -150.637
flat angles P-C4'-P energy: -102.194
tors. eta vs tors. theta energy: -226.157
Dist. restrs. and SS energy: 10.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2388.135693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.135693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.533280 (E_RNA)
where:
Base-Base interactions energy: -1681.489
where: short stacking energy: -653.851
Base-Backbone interact. energy: -2.960
local terms energy: -712.085142
where:
bonds (distance) C4'-P energy: -120.642
bonds (distance) P-C4' energy: -115.577
flat angles C4'-P-C4' energy: -153.710
flat angles P-C4'-P energy: -101.762
tors. eta vs tors. theta energy: -220.393
Dist. restrs. and SS energy: 8.398 (S_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: 270
Temperature: 1.200000
Total energy: -2289.419333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.419333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.567675 (E_RNA)
where:
Base-Base interactions energy: -1613.270
where: short stacking energy: -662.806
Base-Backbone interact. energy: -1.779
local terms energy: -682.518942
where:
bonds (distance) C4'-P energy: -122.254
bonds (distance) P-C4' energy: -122.324
flat angles C4'-P-C4' energy: -130.713
flat angles P-C4'-P energy: -108.917
tors. eta vs tors. theta energy: -198.311
Dist. restrs. and SS energy: 8.148 (S_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: 270
Temperature: 1.250000
Total energy: -2216.564127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.564127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.559230 (E_RNA)
where:
Base-Base interactions energy: -1594.875
where: short stacking energy: -646.979
Base-Backbone interact. energy: 0.236
local terms energy: -634.920390
where:
bonds (distance) C4'-P energy: -92.938
bonds (distance) P-C4' energy: -115.511
flat angles C4'-P-C4' energy: -130.362
flat angles P-C4'-P energy: -101.176
tors. eta vs tors. theta energy: -194.932
Dist. restrs. and SS energy: 12.995 (S_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: 270
Temperature: 1.300000
Total energy: -2114.255768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.255768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.080852 (E_RNA)
where:
Base-Base interactions energy: -1516.384
where: short stacking energy: -618.676
Base-Backbone interact. energy: -0.712
local terms energy: -613.985179
where:
bonds (distance) C4'-P energy: -113.052
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -127.944
flat angles P-C4'-P energy: -91.300
tors. eta vs tors. theta energy: -180.159
Dist. restrs. and SS energy: 16.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -2011.407765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.407765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.358692 (E_RNA)
where:
Base-Base interactions energy: -1459.492
where: short stacking energy: -574.735
Base-Backbone interact. energy: -2.122
local terms energy: -574.744489
where:
bonds (distance) C4'-P energy: -95.701
bonds (distance) P-C4' energy: -117.569
flat angles C4'-P-C4' energy: -127.909
flat angles P-C4'-P energy: -82.905
tors. eta vs tors. theta energy: -150.661
Dist. restrs. and SS energy: 24.951 (S_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: 271
Temperature: 0.900000
Total energy: -2767.768119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.768119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.339931 (E_RNA)
where:
Base-Base interactions energy: -1965.850
where: short stacking energy: -812.710
Base-Backbone interact. energy: -1.490
local terms energy: -804.000429
where:
bonds (distance) C4'-P energy: -138.120
bonds (distance) P-C4' energy: -125.742
flat angles C4'-P-C4' energy: -169.675
flat angles P-C4'-P energy: -120.712
tors. eta vs tors. theta energy: -249.752
Dist. restrs. and SS energy: 3.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2706.665812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.665812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.278320 (E_RNA)
where:
Base-Base interactions energy: -1908.868
where: short stacking energy: -792.074
Base-Backbone interact. energy: -1.324
local terms energy: -805.086608
where:
bonds (distance) C4'-P energy: -132.302
bonds (distance) P-C4' energy: -138.803
flat angles C4'-P-C4' energy: -168.176
flat angles P-C4'-P energy: -120.957
tors. eta vs tors. theta energy: -244.849
Dist. restrs. and SS energy: 8.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2646.456475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.456475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.606280 (E_RNA)
where:
Base-Base interactions energy: -1866.856
where: short stacking energy: -763.635
Base-Backbone interact. energy: -2.916
local terms energy: -787.834306
where:
bonds (distance) C4'-P energy: -149.150
bonds (distance) P-C4' energy: -132.549
flat angles C4'-P-C4' energy: -166.700
flat angles P-C4'-P energy: -104.654
tors. eta vs tors. theta energy: -234.781
Dist. restrs. and SS energy: 11.150 (S_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: 271
Temperature: 1.050000
Total energy: -2541.950736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.950736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.928774 (E_RNA)
where:
Base-Base interactions energy: -1816.731
where: short stacking energy: -734.672
Base-Backbone interact. energy: -3.465
local terms energy: -732.732568
where:
bonds (distance) C4'-P energy: -115.965
bonds (distance) P-C4' energy: -126.216
flat angles C4'-P-C4' energy: -165.837
flat angles P-C4'-P energy: -93.912
tors. eta vs tors. theta energy: -230.804
Dist. restrs. and SS energy: 10.978 (S_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: 271
Temperature: 1.100000
Total energy: -2557.325748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.325748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.823716 (E_RNA)
where:
Base-Base interactions energy: -1824.037
where: short stacking energy: -724.580
Base-Backbone interact. energy: -4.537
local terms energy: -739.249398
where:
bonds (distance) C4'-P energy: -123.866
bonds (distance) P-C4' energy: -112.114
flat angles C4'-P-C4' energy: -164.761
flat angles P-C4'-P energy: -105.962
tors. eta vs tors. theta energy: -232.546
Dist. restrs. and SS energy: 10.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2392.814370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.814370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.534747 (E_RNA)
where:
Base-Base interactions energy: -1699.707
where: short stacking energy: -690.065
Base-Backbone interact. energy: 0.727
local terms energy: -700.554878
where:
bonds (distance) C4'-P energy: -125.607
bonds (distance) P-C4' energy: -118.504
flat angles C4'-P-C4' energy: -154.759
flat angles P-C4'-P energy: -92.576
tors. eta vs tors. theta energy: -209.110
Dist. restrs. and SS energy: 6.720 (S_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: 271
Temperature: 1.200000
Total energy: -2322.086632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.086632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.165229 (E_RNA)
where:
Base-Base interactions energy: -1646.051
where: short stacking energy: -671.687
Base-Backbone interact. energy: -1.005
local terms energy: -682.108967
where:
bonds (distance) C4'-P energy: -120.801
bonds (distance) P-C4' energy: -101.502
flat angles C4'-P-C4' energy: -151.600
flat angles P-C4'-P energy: -89.292
tors. eta vs tors. theta energy: -218.915
Dist. restrs. and SS energy: 7.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2186.765421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.765421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.573694 (E_RNA)
where:
Base-Base interactions energy: -1539.521
where: short stacking energy: -620.865
Base-Backbone interact. energy: -2.528
local terms energy: -658.524676
where:
bonds (distance) C4'-P energy: -136.903
bonds (distance) P-C4' energy: -98.230
flat angles C4'-P-C4' energy: -152.811
flat angles P-C4'-P energy: -76.041
tors. eta vs tors. theta energy: -194.540
Dist. restrs. and SS energy: 13.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -2117.239529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.239529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.909578 (E_RNA)
where:
Base-Base interactions energy: -1518.067
where: short stacking energy: -602.630
Base-Backbone interact. energy: -0.716
local terms energy: -613.126724
where:
bonds (distance) C4'-P energy: -108.766
bonds (distance) P-C4' energy: -108.954
flat angles C4'-P-C4' energy: -125.416
flat angles P-C4'-P energy: -83.659
tors. eta vs tors. theta energy: -186.333
Dist. restrs. and SS energy: 14.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -2007.514653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.514653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.476253 (E_RNA)
where:
Base-Base interactions energy: -1419.239
where: short stacking energy: -562.661
Base-Backbone interact. energy: 1.499
local terms energy: -607.736049
where:
bonds (distance) C4'-P energy: -126.621
bonds (distance) P-C4' energy: -100.953
flat angles C4'-P-C4' energy: -136.152
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -165.822
Dist. restrs. and SS energy: 17.962 (S_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: 272
Temperature: 0.900000
Total energy: -2798.397529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.397529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.891479 (E_RNA)
where:
Base-Base interactions energy: -1998.420
where: short stacking energy: -813.506
Base-Backbone interact. energy: -2.990
local terms energy: -800.481569
where:
bonds (distance) C4'-P energy: -142.714
bonds (distance) P-C4' energy: -139.839
flat angles C4'-P-C4' energy: -172.141
flat angles P-C4'-P energy: -101.976
tors. eta vs tors. theta energy: -243.812
Dist. restrs. and SS energy: 3.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2715.601272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.601272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.717016 (E_RNA)
where:
Base-Base interactions energy: -1919.167
where: short stacking energy: -788.424
Base-Backbone interact. energy: -1.129
local terms energy: -805.420295
where:
bonds (distance) C4'-P energy: -123.575
bonds (distance) P-C4' energy: -147.244
flat angles C4'-P-C4' energy: -165.264
flat angles P-C4'-P energy: -117.369
tors. eta vs tors. theta energy: -251.968
Dist. restrs. and SS energy: 10.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2610.030533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.030533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.040695 (E_RNA)
where:
Base-Base interactions energy: -1827.551
where: short stacking energy: -763.408
Base-Backbone interact. energy: -1.928
local terms energy: -790.562089
where:
bonds (distance) C4'-P energy: -138.029
bonds (distance) P-C4' energy: -128.667
flat angles C4'-P-C4' energy: -167.955
flat angles P-C4'-P energy: -122.069
tors. eta vs tors. theta energy: -233.842
Dist. restrs. and SS energy: 10.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2522.927022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.927022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.596835 (E_RNA)
where:
Base-Base interactions energy: -1775.264
where: short stacking energy: -729.839
Base-Backbone interact. energy: 2.348
local terms energy: -759.681545
where:
bonds (distance) C4'-P energy: -133.262
bonds (distance) P-C4' energy: -134.535
flat angles C4'-P-C4' energy: -143.232
flat angles P-C4'-P energy: -113.521
tors. eta vs tors. theta energy: -235.132
Dist. restrs. and SS energy: 9.670 (S_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: 272
Temperature: 1.100000
Total energy: -2518.524634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.524634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.583513 (E_RNA)
where:
Base-Base interactions energy: -1793.189
where: short stacking energy: -728.001
Base-Backbone interact. energy: -1.673
local terms energy: -737.721783
where:
bonds (distance) C4'-P energy: -133.397
bonds (distance) P-C4' energy: -117.831
flat angles C4'-P-C4' energy: -157.829
flat angles P-C4'-P energy: -109.272
tors. eta vs tors. theta energy: -219.393
Dist. restrs. and SS energy: 14.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2378.028408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.028408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.972245 (E_RNA)
where:
Base-Base interactions energy: -1669.727
where: short stacking energy: -668.519
Base-Backbone interact. energy: -1.614
local terms energy: -714.630967
where:
bonds (distance) C4'-P energy: -131.130
bonds (distance) P-C4' energy: -118.026
flat angles C4'-P-C4' energy: -149.034
flat angles P-C4'-P energy: -112.367
tors. eta vs tors. theta energy: -204.074
Dist. restrs. and SS energy: 7.944 (S_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: 272
Temperature: 1.200000
Total energy: -2334.505859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.505859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.884680 (E_RNA)
where:
Base-Base interactions energy: -1652.554
where: short stacking energy: -661.295
Base-Backbone interact. energy: 1.456
local terms energy: -693.787019
where:
bonds (distance) C4'-P energy: -128.393
bonds (distance) P-C4' energy: -103.344
flat angles C4'-P-C4' energy: -132.937
flat angles P-C4'-P energy: -114.232
tors. eta vs tors. theta energy: -214.882
Dist. restrs. and SS energy: 10.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2149.349068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.349068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.913960 (E_RNA)
where:
Base-Base interactions energy: -1539.106
where: short stacking energy: -622.713
Base-Backbone interact. energy: 0.871
local terms energy: -625.678733
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -106.261
flat angles C4'-P-C4' energy: -149.901
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -175.596
Dist. restrs. and SS energy: 14.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -2070.046747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.046747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.437266 (E_RNA)
where:
Base-Base interactions energy: -1489.669
where: short stacking energy: -577.971
Base-Backbone interact. energy: 1.078
local terms energy: -593.846000
where:
bonds (distance) C4'-P energy: -120.814
bonds (distance) P-C4' energy: -111.206
flat angles C4'-P-C4' energy: -128.283
flat angles P-C4'-P energy: -66.434
tors. eta vs tors. theta energy: -167.109
Dist. restrs. and SS energy: 12.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -2051.330327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.330327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.038803 (E_RNA)
where:
Base-Base interactions energy: -1470.936
where: short stacking energy: -600.782
Base-Backbone interact. energy: 0.094
local terms energy: -598.196262
where:
bonds (distance) C4'-P energy: -121.567
bonds (distance) P-C4' energy: -99.417
flat angles C4'-P-C4' energy: -136.250
flat angles P-C4'-P energy: -59.092
tors. eta vs tors. theta energy: -181.871
Dist. restrs. and SS energy: 17.708 (S_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: 273
Temperature: 0.900000
Total energy: -2766.772318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.772318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.203485 (E_RNA)
where:
Base-Base interactions energy: -1955.881
where: short stacking energy: -796.291
Base-Backbone interact. energy: -1.014
local terms energy: -813.308506
where:
bonds (distance) C4'-P energy: -146.384
bonds (distance) P-C4' energy: -131.453
flat angles C4'-P-C4' energy: -165.619
flat angles P-C4'-P energy: -122.464
tors. eta vs tors. theta energy: -247.389
Dist. restrs. and SS energy: 3.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2713.419002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.419002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.873894 (E_RNA)
where:
Base-Base interactions energy: -1924.619
where: short stacking energy: -808.171
Base-Backbone interact. energy: -1.493
local terms energy: -795.761802
where:
bonds (distance) C4'-P energy: -138.177
bonds (distance) P-C4' energy: -126.544
flat angles C4'-P-C4' energy: -167.596
flat angles P-C4'-P energy: -105.622
tors. eta vs tors. theta energy: -257.824
Dist. restrs. and SS energy: 8.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2594.887347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.887347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.359862 (E_RNA)
where:
Base-Base interactions energy: -1829.935
where: short stacking energy: -764.257
Base-Backbone interact. energy: 1.486
local terms energy: -775.911103
where:
bonds (distance) C4'-P energy: -147.221
bonds (distance) P-C4' energy: -115.525
flat angles C4'-P-C4' energy: -152.687
flat angles P-C4'-P energy: -114.291
tors. eta vs tors. theta energy: -246.188
Dist. restrs. and SS energy: 9.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2567.235782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.235782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.604986 (E_RNA)
where:
Base-Base interactions energy: -1841.542
where: short stacking energy: -755.070
Base-Backbone interact. energy: -2.145
local terms energy: -734.918708
where:
bonds (distance) C4'-P energy: -122.656
bonds (distance) P-C4' energy: -127.290
flat angles C4'-P-C4' energy: -147.641
flat angles P-C4'-P energy: -107.336
tors. eta vs tors. theta energy: -229.995
Dist. restrs. and SS energy: 11.369 (S_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: 273
Temperature: 1.100000
Total energy: -2502.939611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.939611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.309829 (E_RNA)
where:
Base-Base interactions energy: -1796.363
where: short stacking energy: -755.889
Base-Backbone interact. energy: -1.578
local terms energy: -715.369320
where:
bonds (distance) C4'-P energy: -123.930
bonds (distance) P-C4' energy: -111.362
flat angles C4'-P-C4' energy: -150.018
flat angles P-C4'-P energy: -95.011
tors. eta vs tors. theta energy: -235.049
Dist. restrs. and SS energy: 10.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2395.277713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.277713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.391372 (E_RNA)
where:
Base-Base interactions energy: -1691.681
where: short stacking energy: -680.847
Base-Backbone interact. energy: -3.574
local terms energy: -707.136291
where:
bonds (distance) C4'-P energy: -120.102
bonds (distance) P-C4' energy: -123.822
flat angles C4'-P-C4' energy: -150.195
flat angles P-C4'-P energy: -102.314
tors. eta vs tors. theta energy: -210.704
Dist. restrs. and SS energy: 7.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2344.798979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.798979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.428923 (E_RNA)
where:
Base-Base interactions energy: -1684.997
where: short stacking energy: -685.357
Base-Backbone interact. energy: -2.550
local terms energy: -662.882224
where:
bonds (distance) C4'-P energy: -109.135
bonds (distance) P-C4' energy: -113.367
flat angles C4'-P-C4' energy: -144.424
flat angles P-C4'-P energy: -79.877
tors. eta vs tors. theta energy: -216.079
Dist. restrs. and SS energy: 5.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -2137.603236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.603236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.755979 (E_RNA)
where:
Base-Base interactions energy: -1548.220
where: short stacking energy: -623.542
Base-Backbone interact. energy: 2.140
local terms energy: -600.675779
where:
bonds (distance) C4'-P energy: -94.944
bonds (distance) P-C4' energy: -120.747
flat angles C4'-P-C4' energy: -126.814
flat angles P-C4'-P energy: -71.572
tors. eta vs tors. theta energy: -186.599
Dist. restrs. and SS energy: 9.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -2067.943519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.943519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.756592 (E_RNA)
where:
Base-Base interactions energy: -1518.242
where: short stacking energy: -583.177
Base-Backbone interact. energy: 1.334
local terms energy: -565.848567
where:
bonds (distance) C4'-P energy: -82.871
bonds (distance) P-C4' energy: -122.543
flat angles C4'-P-C4' energy: -117.805
flat angles P-C4'-P energy: -74.319
tors. eta vs tors. theta energy: -168.311
Dist. restrs. and SS energy: 14.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -2087.030321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.030321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.827940 (E_RNA)
where:
Base-Base interactions energy: -1525.518
where: short stacking energy: -614.612
Base-Backbone interact. energy: -3.433
local terms energy: -569.876845
where:
bonds (distance) C4'-P energy: -101.083
bonds (distance) P-C4' energy: -97.031
flat angles C4'-P-C4' energy: -124.453
flat angles P-C4'-P energy: -70.190
tors. eta vs tors. theta energy: -177.120
Dist. restrs. and SS energy: 11.798 (S_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: 274
Temperature: 0.900000
Total energy: -2771.381444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.381444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.406958 (E_RNA)
where:
Base-Base interactions energy: -1966.525
where: short stacking energy: -810.676
Base-Backbone interact. energy: -1.766
local terms energy: -807.116001
where:
bonds (distance) C4'-P energy: -128.263
bonds (distance) P-C4' energy: -145.587
flat angles C4'-P-C4' energy: -167.768
flat angles P-C4'-P energy: -116.703
tors. eta vs tors. theta energy: -248.794
Dist. restrs. and SS energy: 4.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2714.871608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.871608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.703275 (E_RNA)
where:
Base-Base interactions energy: -1954.183
where: short stacking energy: -790.324
Base-Backbone interact. energy: -1.288
local terms energy: -766.231873
where:
bonds (distance) C4'-P energy: -125.945
bonds (distance) P-C4' energy: -134.578
flat angles C4'-P-C4' energy: -155.751
flat angles P-C4'-P energy: -105.672
tors. eta vs tors. theta energy: -244.286
Dist. restrs. and SS energy: 6.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2635.586349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.586349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.165141 (E_RNA)
where:
Base-Base interactions energy: -1874.866
where: short stacking energy: -753.795
Base-Backbone interact. energy: 1.156
local terms energy: -768.455498
where:
bonds (distance) C4'-P energy: -132.246
bonds (distance) P-C4' energy: -132.042
flat angles C4'-P-C4' energy: -164.086
flat angles P-C4'-P energy: -109.764
tors. eta vs tors. theta energy: -230.317
Dist. restrs. and SS energy: 6.579 (S_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: 274
Temperature: 1.050000
Total energy: -2544.975612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.975612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.587134 (E_RNA)
where:
Base-Base interactions energy: -1801.990
where: short stacking energy: -738.523
Base-Backbone interact. energy: -2.096
local terms energy: -752.501953
where:
bonds (distance) C4'-P energy: -116.247
bonds (distance) P-C4' energy: -136.739
flat angles C4'-P-C4' energy: -166.229
flat angles P-C4'-P energy: -97.815
tors. eta vs tors. theta energy: -235.472
Dist. restrs. and SS energy: 11.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2543.345638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.345638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.400244 (E_RNA)
where:
Base-Base interactions energy: -1810.951
where: short stacking energy: -728.722
Base-Backbone interact. energy: 0.381
local terms energy: -745.830500
where:
bonds (distance) C4'-P energy: -114.376
bonds (distance) P-C4' energy: -135.589
flat angles C4'-P-C4' energy: -161.500
flat angles P-C4'-P energy: -108.293
tors. eta vs tors. theta energy: -226.071
Dist. restrs. and SS energy: 13.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2401.603281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.603281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.197774 (E_RNA)
where:
Base-Base interactions energy: -1696.672
where: short stacking energy: -699.097
Base-Backbone interact. energy: -0.300
local terms energy: -710.225489
where:
bonds (distance) C4'-P energy: -127.649
bonds (distance) P-C4' energy: -130.617
flat angles C4'-P-C4' energy: -144.330
flat angles P-C4'-P energy: -92.728
tors. eta vs tors. theta energy: -214.901
Dist. restrs. and SS energy: 5.594 (S_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: 274
Temperature: 1.200000
Total energy: -2310.743508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.743508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.072875 (E_RNA)
where:
Base-Base interactions energy: -1631.534
where: short stacking energy: -659.432
Base-Backbone interact. energy: 1.635
local terms energy: -689.174489
where:
bonds (distance) C4'-P energy: -118.200
bonds (distance) P-C4' energy: -120.379
flat angles C4'-P-C4' energy: -150.024
flat angles P-C4'-P energy: -91.969
tors. eta vs tors. theta energy: -208.603
Dist. restrs. and SS energy: 8.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2205.246169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.246169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.936911 (E_RNA)
where:
Base-Base interactions energy: -1551.409
where: short stacking energy: -623.437
Base-Backbone interact. energy: 0.842
local terms energy: -669.370202
where:
bonds (distance) C4'-P energy: -112.893
bonds (distance) P-C4' energy: -110.677
flat angles C4'-P-C4' energy: -144.104
flat angles P-C4'-P energy: -100.092
tors. eta vs tors. theta energy: -201.604
Dist. restrs. and SS energy: 14.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -2167.040923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.040923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.514217 (E_RNA)
where:
Base-Base interactions energy: -1554.249
where: short stacking energy: -629.885
Base-Backbone interact. energy: -2.027
local terms energy: -629.238394
where:
bonds (distance) C4'-P energy: -80.629
bonds (distance) P-C4' energy: -108.772
flat angles C4'-P-C4' energy: -146.577
flat angles P-C4'-P energy: -97.564
tors. eta vs tors. theta energy: -195.696
Dist. restrs. and SS energy: 18.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -2016.240218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.240218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.190837 (E_RNA)
where:
Base-Base interactions energy: -1460.104
where: short stacking energy: -577.979
Base-Backbone interact. energy: -0.939
local terms energy: -578.147101
where:
bonds (distance) C4'-P energy: -101.646
bonds (distance) P-C4' energy: -98.381
flat angles C4'-P-C4' energy: -126.283
flat angles P-C4'-P energy: -90.365
tors. eta vs tors. theta energy: -161.472
Dist. restrs. and SS energy: 22.951 (S_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: 275
Temperature: 0.900000
Total energy: -2786.750654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.750654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.048170 (E_RNA)
where:
Base-Base interactions energy: -1948.405
where: short stacking energy: -816.549
Base-Backbone interact. energy: -4.158
local terms energy: -838.484531
where:
bonds (distance) C4'-P energy: -137.756
bonds (distance) P-C4' energy: -143.827
flat angles C4'-P-C4' energy: -172.272
flat angles P-C4'-P energy: -121.053
tors. eta vs tors. theta energy: -263.575
Dist. restrs. and SS energy: 4.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2697.641002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.641002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.619167 (E_RNA)
where:
Base-Base interactions energy: -1911.148
where: short stacking energy: -797.177
Base-Backbone interact. energy: -1.491
local terms energy: -790.980255
where:
bonds (distance) C4'-P energy: -134.871
bonds (distance) P-C4' energy: -146.413
flat angles C4'-P-C4' energy: -156.719
flat angles P-C4'-P energy: -106.143
tors. eta vs tors. theta energy: -246.834
Dist. restrs. and SS energy: 5.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2624.232375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.232375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.304688 (E_RNA)
where:
Base-Base interactions energy: -1849.158
where: short stacking energy: -751.620
Base-Backbone interact. energy: -1.858
local terms energy: -783.289407
where:
bonds (distance) C4'-P energy: -135.844
bonds (distance) P-C4' energy: -136.217
flat angles C4'-P-C4' energy: -167.050
flat angles P-C4'-P energy: -109.634
tors. eta vs tors. theta energy: -234.545
Dist. restrs. and SS energy: 10.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2529.508044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.508044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.128608 (E_RNA)
where:
Base-Base interactions energy: -1790.517
where: short stacking energy: -726.884
Base-Backbone interact. energy: -3.392
local terms energy: -749.219602
where:
bonds (distance) C4'-P energy: -119.580
bonds (distance) P-C4' energy: -128.156
flat angles C4'-P-C4' energy: -157.080
flat angles P-C4'-P energy: -105.643
tors. eta vs tors. theta energy: -238.761
Dist. restrs. and SS energy: 13.621 (S_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: 275
Temperature: 1.100000
Total energy: -2506.168604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.168604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.264389 (E_RNA)
where:
Base-Base interactions energy: -1794.610
where: short stacking energy: -742.211
Base-Backbone interact. energy: -0.564
local terms energy: -722.089783
where:
bonds (distance) C4'-P energy: -113.611
bonds (distance) P-C4' energy: -131.304
flat angles C4'-P-C4' energy: -145.257
flat angles P-C4'-P energy: -104.461
tors. eta vs tors. theta energy: -227.457
Dist. restrs. and SS energy: 11.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2378.869251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.869251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.468384 (E_RNA)
where:
Base-Base interactions energy: -1658.275
where: short stacking energy: -653.157
Base-Backbone interact. energy: -3.013
local terms energy: -727.180307
where:
bonds (distance) C4'-P energy: -134.262
bonds (distance) P-C4' energy: -129.050
flat angles C4'-P-C4' energy: -151.506
flat angles P-C4'-P energy: -94.779
tors. eta vs tors. theta energy: -217.583
Dist. restrs. and SS energy: 9.599 (S_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: 275
Temperature: 1.200000
Total energy: -2347.827262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.827262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.148986 (E_RNA)
where:
Base-Base interactions energy: -1684.577
where: short stacking energy: -718.044
Base-Backbone interact. energy: 1.119
local terms energy: -678.691841
where:
bonds (distance) C4'-P energy: -120.058
bonds (distance) P-C4' energy: -95.656
flat angles C4'-P-C4' energy: -137.823
flat angles P-C4'-P energy: -99.500
tors. eta vs tors. theta energy: -225.654
Dist. restrs. and SS energy: 14.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2243.663877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.663877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.143956 (E_RNA)
where:
Base-Base interactions energy: -1625.729
where: short stacking energy: -644.160
Base-Backbone interact. energy: -1.181
local terms energy: -629.233704
where:
bonds (distance) C4'-P energy: -106.586
bonds (distance) P-C4' energy: -125.877
flat angles C4'-P-C4' energy: -131.136
flat angles P-C4'-P energy: -71.327
tors. eta vs tors. theta energy: -194.307
Dist. restrs. and SS energy: 12.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -2138.265741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.265741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.644270 (E_RNA)
where:
Base-Base interactions energy: -1515.338
where: short stacking energy: -597.643
Base-Backbone interact. energy: -2.186
local terms energy: -637.120809
where:
bonds (distance) C4'-P energy: -88.394
bonds (distance) P-C4' energy: -133.286
flat angles C4'-P-C4' energy: -133.175
flat angles P-C4'-P energy: -88.351
tors. eta vs tors. theta energy: -193.914
Dist. restrs. and SS energy: 16.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -2041.717831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.717831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.135687 (E_RNA)
where:
Base-Base interactions energy: -1445.069
where: short stacking energy: -556.046
Base-Backbone interact. energy: 3.503
local terms energy: -618.570158
where:
bonds (distance) C4'-P energy: -127.452
bonds (distance) P-C4' energy: -123.697
flat angles C4'-P-C4' energy: -127.950
flat angles P-C4'-P energy: -80.941
tors. eta vs tors. theta energy: -158.531
Dist. restrs. and SS energy: 18.418 (S_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: 276
Temperature: 0.900000
Total energy: -2810.994573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.994573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.874270 (E_RNA)
where:
Base-Base interactions energy: -1983.561
where: short stacking energy: -833.696
Base-Backbone interact. energy: -0.909
local terms energy: -830.403519
where:
bonds (distance) C4'-P energy: -141.515
bonds (distance) P-C4' energy: -141.365
flat angles C4'-P-C4' energy: -166.255
flat angles P-C4'-P energy: -124.320
tors. eta vs tors. theta energy: -256.948
Dist. restrs. and SS energy: 3.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2691.786996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.786996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.498387 (E_RNA)
where:
Base-Base interactions energy: -1909.451
where: short stacking energy: -778.464
Base-Backbone interact. energy: -2.395
local terms energy: -787.652455
where:
bonds (distance) C4'-P energy: -127.764
bonds (distance) P-C4' energy: -126.848
flat angles C4'-P-C4' energy: -172.948
flat angles P-C4'-P energy: -112.665
tors. eta vs tors. theta energy: -247.427
Dist. restrs. and SS energy: 7.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2625.239610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.239610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.292128 (E_RNA)
where:
Base-Base interactions energy: -1853.476
where: short stacking energy: -767.672
Base-Backbone interact. energy: -1.448
local terms energy: -780.368477
where:
bonds (distance) C4'-P energy: -127.617
bonds (distance) P-C4' energy: -129.376
flat angles C4'-P-C4' energy: -155.019
flat angles P-C4'-P energy: -116.537
tors. eta vs tors. theta energy: -251.819
Dist. restrs. and SS energy: 10.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2545.179452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.179452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.437868 (E_RNA)
where:
Base-Base interactions energy: -1784.254
where: short stacking energy: -733.481
Base-Backbone interact. energy: -1.090
local terms energy: -772.094092
where:
bonds (distance) C4'-P energy: -131.213
bonds (distance) P-C4' energy: -136.436
flat angles C4'-P-C4' energy: -166.304
flat angles P-C4'-P energy: -111.846
tors. eta vs tors. theta energy: -226.295
Dist. restrs. and SS energy: 12.258 (S_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: 276
Temperature: 1.100000
Total energy: -2472.973252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.973252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.788185 (E_RNA)
where:
Base-Base interactions energy: -1755.829
where: short stacking energy: -709.029
Base-Backbone interact. energy: 0.724
local terms energy: -722.682548
where:
bonds (distance) C4'-P energy: -118.391
bonds (distance) P-C4' energy: -141.102
flat angles C4'-P-C4' energy: -148.655
flat angles P-C4'-P energy: -98.920
tors. eta vs tors. theta energy: -215.615
Dist. restrs. and SS energy: 4.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2417.694277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.694277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.418640 (E_RNA)
where:
Base-Base interactions energy: -1724.619
where: short stacking energy: -693.926
Base-Backbone interact. energy: 4.689
local terms energy: -710.488877
where:
bonds (distance) C4'-P energy: -118.837
bonds (distance) P-C4' energy: -115.213
flat angles C4'-P-C4' energy: -156.468
flat angles P-C4'-P energy: -109.516
tors. eta vs tors. theta energy: -210.455
Dist. restrs. and SS energy: 12.724 (S_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: 276
Temperature: 1.200000
Total energy: -2318.910491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.910491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.019211 (E_RNA)
where:
Base-Base interactions energy: -1639.090
where: short stacking energy: -676.711
Base-Backbone interact. energy: 2.975
local terms energy: -691.904058
where:
bonds (distance) C4'-P energy: -119.752
bonds (distance) P-C4' energy: -139.634
flat angles C4'-P-C4' energy: -129.190
flat angles P-C4'-P energy: -98.920
tors. eta vs tors. theta energy: -204.408
Dist. restrs. and SS energy: 9.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2197.817518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.817518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.257269 (E_RNA)
where:
Base-Base interactions energy: -1579.703
where: short stacking energy: -632.543
Base-Backbone interact. energy: 3.400
local terms energy: -629.954184
where:
bonds (distance) C4'-P energy: -95.744
bonds (distance) P-C4' energy: -116.768
flat angles C4'-P-C4' energy: -129.000
flat angles P-C4'-P energy: -85.040
tors. eta vs tors. theta energy: -203.403
Dist. restrs. and SS energy: 8.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -2180.527597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.527597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.401793 (E_RNA)
where:
Base-Base interactions energy: -1550.861
where: short stacking energy: -627.488
Base-Backbone interact. energy: -0.538
local terms energy: -638.003294
where:
bonds (distance) C4'-P energy: -118.550
bonds (distance) P-C4' energy: -91.070
flat angles C4'-P-C4' energy: -125.778
flat angles P-C4'-P energy: -86.085
tors. eta vs tors. theta energy: -216.520
Dist. restrs. and SS energy: 8.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -2028.710715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.710715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.775090 (E_RNA)
where:
Base-Base interactions energy: -1471.511
where: short stacking energy: -565.871
Base-Backbone interact. energy: 5.671
local terms energy: -583.935472
where:
bonds (distance) C4'-P energy: -119.454
bonds (distance) P-C4' energy: -100.476
flat angles C4'-P-C4' energy: -126.624
flat angles P-C4'-P energy: -82.017
tors. eta vs tors. theta energy: -155.365
Dist. restrs. and SS energy: 21.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2782.713070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.713070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.387545 (E_RNA)
where:
Base-Base interactions energy: -1968.193
where: short stacking energy: -830.839
Base-Backbone interact. energy: -3.231
local terms energy: -816.962961
where:
bonds (distance) C4'-P energy: -140.368
bonds (distance) P-C4' energy: -142.952
flat angles C4'-P-C4' energy: -165.472
flat angles P-C4'-P energy: -117.537
tors. eta vs tors. theta energy: -250.634
Dist. restrs. and SS energy: 5.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2701.171077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.171077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.261963 (E_RNA)
where:
Base-Base interactions energy: -1910.228
where: short stacking energy: -774.322
Base-Backbone interact. energy: 2.090
local terms energy: -800.124431
where:
bonds (distance) C4'-P energy: -132.379
bonds (distance) P-C4' energy: -129.771
flat angles C4'-P-C4' energy: -166.286
flat angles P-C4'-P energy: -119.770
tors. eta vs tors. theta energy: -251.918
Dist. restrs. and SS energy: 7.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2608.087769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.087769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.678273 (E_RNA)
where:
Base-Base interactions energy: -1845.726
where: short stacking energy: -757.254
Base-Backbone interact. energy: -2.152
local terms energy: -769.800573
where:
bonds (distance) C4'-P energy: -140.613
bonds (distance) P-C4' energy: -122.153
flat angles C4'-P-C4' energy: -162.905
flat angles P-C4'-P energy: -107.766
tors. eta vs tors. theta energy: -236.364
Dist. restrs. and SS energy: 9.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2553.891363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.891363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.486569 (E_RNA)
where:
Base-Base interactions energy: -1808.139
where: short stacking energy: -739.134
Base-Backbone interact. energy: -1.309
local terms energy: -757.038402
where:
bonds (distance) C4'-P energy: -116.084
bonds (distance) P-C4' energy: -136.146
flat angles C4'-P-C4' energy: -163.856
flat angles P-C4'-P energy: -110.401
tors. eta vs tors. theta energy: -230.551
Dist. restrs. and SS energy: 12.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2487.761409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.761409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.350319 (E_RNA)
where:
Base-Base interactions energy: -1753.083
where: short stacking energy: -726.034
Base-Backbone interact. energy: -0.639
local terms energy: -745.628288
where:
bonds (distance) C4'-P energy: -128.032
bonds (distance) P-C4' energy: -127.960
flat angles C4'-P-C4' energy: -162.995
flat angles P-C4'-P energy: -100.998
tors. eta vs tors. theta energy: -225.644
Dist. restrs. and SS energy: 11.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2380.345025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.345025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.431715 (E_RNA)
where:
Base-Base interactions energy: -1698.477
where: short stacking energy: -672.290
Base-Backbone interact. energy: -1.791
local terms energy: -692.164159
where:
bonds (distance) C4'-P energy: -127.954
bonds (distance) P-C4' energy: -116.678
flat angles C4'-P-C4' energy: -142.484
flat angles P-C4'-P energy: -97.273
tors. eta vs tors. theta energy: -207.775
Dist. restrs. and SS energy: 12.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2289.557358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.557358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.843030 (E_RNA)
where:
Base-Base interactions energy: -1615.869
where: short stacking energy: -649.650
Base-Backbone interact. energy: 1.586
local terms energy: -685.559673
where:
bonds (distance) C4'-P energy: -134.682
bonds (distance) P-C4' energy: -122.269
flat angles C4'-P-C4' energy: -140.266
flat angles P-C4'-P energy: -86.360
tors. eta vs tors. theta energy: -201.983
Dist. restrs. and SS energy: 10.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -2194.720619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.720619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.880875 (E_RNA)
where:
Base-Base interactions energy: -1556.075
where: short stacking energy: -636.018
Base-Backbone interact. energy: 1.032
local terms energy: -652.837396
where:
bonds (distance) C4'-P energy: -122.542
bonds (distance) P-C4' energy: -100.447
flat angles C4'-P-C4' energy: -139.994
flat angles P-C4'-P energy: -89.118
tors. eta vs tors. theta energy: -200.736
Dist. restrs. and SS energy: 13.160 (S_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: 277
Temperature: 1.300000
Total energy: -2121.686451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.686451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.160114 (E_RNA)
where:
Base-Base interactions energy: -1544.791
where: short stacking energy: -607.251
Base-Backbone interact. energy: 1.980
local terms energy: -597.348921
where:
bonds (distance) C4'-P energy: -106.633
bonds (distance) P-C4' energy: -109.386
flat angles C4'-P-C4' energy: -135.657
flat angles P-C4'-P energy: -69.572
tors. eta vs tors. theta energy: -176.101
Dist. restrs. and SS energy: 18.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -2008.160605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.160605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.133888 (E_RNA)
where:
Base-Base interactions energy: -1451.593
where: short stacking energy: -582.100
Base-Backbone interact. energy: 0.384
local terms energy: -574.924768
where:
bonds (distance) C4'-P energy: -80.944
bonds (distance) P-C4' energy: -105.120
flat angles C4'-P-C4' energy: -124.947
flat angles P-C4'-P energy: -87.461
tors. eta vs tors. theta energy: -176.452
Dist. restrs. and SS energy: 17.973 (S_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: 278
Temperature: 0.900000
Total energy: -2792.970441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.970441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.455020 (E_RNA)
where:
Base-Base interactions energy: -1961.662
where: short stacking energy: -818.292
Base-Backbone interact. energy: -2.627
local terms energy: -833.166357
where:
bonds (distance) C4'-P energy: -148.390
bonds (distance) P-C4' energy: -139.814
flat angles C4'-P-C4' energy: -171.443
flat angles P-C4'-P energy: -114.640
tors. eta vs tors. theta energy: -258.879
Dist. restrs. and SS energy: 4.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2691.958965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.958965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.090044 (E_RNA)
where:
Base-Base interactions energy: -1882.956
where: short stacking energy: -783.857
Base-Backbone interact. energy: -1.907
local terms energy: -814.227075
where:
bonds (distance) C4'-P energy: -153.945
bonds (distance) P-C4' energy: -144.623
flat angles C4'-P-C4' energy: -162.348
flat angles P-C4'-P energy: -114.670
tors. eta vs tors. theta energy: -238.641
Dist. restrs. and SS energy: 7.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2593.593031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.593031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.630792 (E_RNA)
where:
Base-Base interactions energy: -1865.461
where: short stacking energy: -758.482
Base-Backbone interact. energy: -4.268
local terms energy: -729.901557
where:
bonds (distance) C4'-P energy: -120.131
bonds (distance) P-C4' energy: -104.191
flat angles C4'-P-C4' energy: -159.583
flat angles P-C4'-P energy: -117.773
tors. eta vs tors. theta energy: -228.224
Dist. restrs. and SS energy: 6.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2541.693048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.693048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.230778 (E_RNA)
where:
Base-Base interactions energy: -1812.383
where: short stacking energy: -736.946
Base-Backbone interact. energy: -1.174
local terms energy: -740.673970
where:
bonds (distance) C4'-P energy: -129.002
bonds (distance) P-C4' energy: -127.366
flat angles C4'-P-C4' energy: -161.838
flat angles P-C4'-P energy: -93.017
tors. eta vs tors. theta energy: -229.451
Dist. restrs. and SS energy: 12.538 (S_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: 278
Temperature: 1.100000
Total energy: -2450.219081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.219081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.462548 (E_RNA)
where:
Base-Base interactions energy: -1716.678
where: short stacking energy: -692.734
Base-Backbone interact. energy: -1.962
local terms energy: -738.822738
where:
bonds (distance) C4'-P energy: -138.527
bonds (distance) P-C4' energy: -109.786
flat angles C4'-P-C4' energy: -161.694
flat angles P-C4'-P energy: -111.193
tors. eta vs tors. theta energy: -217.622
Dist. restrs. and SS energy: 7.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2439.483138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.483138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.032367 (E_RNA)
where:
Base-Base interactions energy: -1727.131
where: short stacking energy: -708.569
Base-Backbone interact. energy: -2.050
local terms energy: -720.850972
where:
bonds (distance) C4'-P energy: -123.862
bonds (distance) P-C4' energy: -142.508
flat angles C4'-P-C4' energy: -148.518
flat angles P-C4'-P energy: -92.142
tors. eta vs tors. theta energy: -213.820
Dist. restrs. and SS energy: 10.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2312.311244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.311244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.850146 (E_RNA)
where:
Base-Base interactions energy: -1621.201
where: short stacking energy: -669.443
Base-Backbone interact. energy: -1.218
local terms energy: -698.430469
where:
bonds (distance) C4'-P energy: -117.579
bonds (distance) P-C4' energy: -133.043
flat angles C4'-P-C4' energy: -140.565
flat angles P-C4'-P energy: -106.566
tors. eta vs tors. theta energy: -200.679
Dist. restrs. and SS energy: 8.539 (S_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: -2308.301110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.301110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.673847 (E_RNA)
where:
Base-Base interactions energy: -1659.568
where: short stacking energy: -665.103
Base-Backbone interact. energy: -3.308
local terms energy: -650.798388
where:
bonds (distance) C4'-P energy: -113.148
bonds (distance) P-C4' energy: -115.511
flat angles C4'-P-C4' energy: -138.280
flat angles P-C4'-P energy: -82.353
tors. eta vs tors. theta energy: -201.507
Dist. restrs. and SS energy: 5.373 (S_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: 278
Temperature: 1.300000
Total energy: -2109.055266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.055266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.933945 (E_RNA)
where:
Base-Base interactions energy: -1537.951
where: short stacking energy: -629.557
Base-Backbone interact. energy: -1.997
local terms energy: -582.985508
where:
bonds (distance) C4'-P energy: -90.709
bonds (distance) P-C4' energy: -106.374
flat angles C4'-P-C4' energy: -133.442
flat angles P-C4'-P energy: -58.352
tors. eta vs tors. theta energy: -194.108
Dist. restrs. and SS energy: 13.879 (S_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: 278
Temperature: 1.350000
Total energy: -2101.118350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.118350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.319074 (E_RNA)
where:
Base-Base interactions energy: -1498.424
where: short stacking energy: -596.600
Base-Backbone interact. energy: -2.072
local terms energy: -608.823064
where:
bonds (distance) C4'-P energy: -112.394
bonds (distance) P-C4' energy: -125.985
flat angles C4'-P-C4' energy: -129.286
flat angles P-C4'-P energy: -57.928
tors. eta vs tors. theta energy: -183.230
Dist. restrs. and SS energy: 8.201 (S_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: 279
Temperature: 0.900000
Total energy: -2782.795304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.795304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.503756 (E_RNA)
where:
Base-Base interactions energy: -1980.202
where: short stacking energy: -837.208
Base-Backbone interact. energy: 0.396
local terms energy: -806.697670
where:
bonds (distance) C4'-P energy: -137.920
bonds (distance) P-C4' energy: -132.112
flat angles C4'-P-C4' energy: -172.439
flat angles P-C4'-P energy: -109.016
tors. eta vs tors. theta energy: -255.211
Dist. restrs. and SS energy: 3.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2680.205285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.205285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.862960 (E_RNA)
where:
Base-Base interactions energy: -1898.408
where: short stacking energy: -795.000
Base-Backbone interact. energy: -3.778
local terms energy: -784.676586
where:
bonds (distance) C4'-P energy: -128.824
bonds (distance) P-C4' energy: -130.590
flat angles C4'-P-C4' energy: -169.913
flat angles P-C4'-P energy: -115.347
tors. eta vs tors. theta energy: -240.003
Dist. restrs. and SS energy: 6.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2640.625229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.625229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.606896 (E_RNA)
where:
Base-Base interactions energy: -1880.367
where: short stacking energy: -785.917
Base-Backbone interact. energy: -2.161
local terms energy: -766.078341
where:
bonds (distance) C4'-P energy: -131.332
bonds (distance) P-C4' energy: -130.274
flat angles C4'-P-C4' energy: -156.264
flat angles P-C4'-P energy: -110.584
tors. eta vs tors. theta energy: -237.625
Dist. restrs. and SS energy: 7.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2534.675643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.675643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.970128 (E_RNA)
where:
Base-Base interactions energy: -1826.347
where: short stacking energy: -745.471
Base-Backbone interact. energy: -0.534
local terms energy: -721.088527
where:
bonds (distance) C4'-P energy: -116.153
bonds (distance) P-C4' energy: -129.020
flat angles C4'-P-C4' energy: -144.780
flat angles P-C4'-P energy: -100.573
tors. eta vs tors. theta energy: -230.563
Dist. restrs. and SS energy: 13.294 (S_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: 279
Temperature: 1.100000
Total energy: -2419.384951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.384951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.378801 (E_RNA)
where:
Base-Base interactions energy: -1725.026
where: short stacking energy: -713.867
Base-Backbone interact. energy: 0.991
local terms energy: -705.343402
where:
bonds (distance) C4'-P energy: -114.715
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -149.631
flat angles P-C4'-P energy: -90.997
tors. eta vs tors. theta energy: -225.535
Dist. restrs. and SS energy: 9.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2421.930239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.930239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.522157 (E_RNA)
where:
Base-Base interactions energy: -1724.831
where: short stacking energy: -696.027
Base-Backbone interact. energy: -0.987
local terms energy: -701.704166
where:
bonds (distance) C4'-P energy: -121.532
bonds (distance) P-C4' energy: -127.198
flat angles C4'-P-C4' energy: -131.467
flat angles P-C4'-P energy: -98.717
tors. eta vs tors. theta energy: -222.790
Dist. restrs. and SS energy: 5.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2372.939970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.939970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.474269 (E_RNA)
where:
Base-Base interactions energy: -1700.847
where: short stacking energy: -685.058
Base-Backbone interact. energy: -0.533
local terms energy: -677.093921
where:
bonds (distance) C4'-P energy: -106.867
bonds (distance) P-C4' energy: -98.380
flat angles C4'-P-C4' energy: -158.329
flat angles P-C4'-P energy: -94.538
tors. eta vs tors. theta energy: -218.980
Dist. restrs. and SS energy: 5.534 (S_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: -2313.179890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.179890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.841124 (E_RNA)
where:
Base-Base interactions energy: -1669.176
where: short stacking energy: -669.713
Base-Backbone interact. energy: -4.132
local terms energy: -645.532342
where:
bonds (distance) C4'-P energy: -113.810
bonds (distance) P-C4' energy: -110.712
flat angles C4'-P-C4' energy: -133.416
flat angles P-C4'-P energy: -86.134
tors. eta vs tors. theta energy: -201.460
Dist. restrs. and SS energy: 5.661 (S_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: 279
Temperature: 1.300000
Total energy: -2128.598973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.598973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.719128 (E_RNA)
where:
Base-Base interactions energy: -1519.989
where: short stacking energy: -607.728
Base-Backbone interact. energy: 0.247
local terms energy: -622.977026
where:
bonds (distance) C4'-P energy: -110.276
bonds (distance) P-C4' energy: -119.492
flat angles C4'-P-C4' energy: -125.543
flat angles P-C4'-P energy: -77.587
tors. eta vs tors. theta energy: -190.079
Dist. restrs. and SS energy: 14.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -2068.270508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.270508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.986829 (E_RNA)
where:
Base-Base interactions energy: -1489.835
where: short stacking energy: -597.942
Base-Backbone interact. energy: -1.884
local terms energy: -585.267213
where:
bonds (distance) C4'-P energy: -101.645
bonds (distance) P-C4' energy: -114.983
flat angles C4'-P-C4' energy: -113.533
flat angles P-C4'-P energy: -80.874
tors. eta vs tors. theta energy: -174.232
Dist. restrs. and SS energy: 8.716 (S_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: -2789.831678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.831678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.443976 (E_RNA)
where:
Base-Base interactions energy: -1978.225
where: short stacking energy: -830.410
Base-Backbone interact. energy: 1.430
local terms energy: -816.648718
where:
bonds (distance) C4'-P energy: -130.974
bonds (distance) P-C4' energy: -148.675
flat angles C4'-P-C4' energy: -167.043
flat angles P-C4'-P energy: -117.586
tors. eta vs tors. theta energy: -252.371
Dist. restrs. and SS energy: 3.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2683.652036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.652036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.982149 (E_RNA)
where:
Base-Base interactions energy: -1903.404
where: short stacking energy: -774.651
Base-Backbone interact. energy: -3.010
local terms energy: -786.567984
where:
bonds (distance) C4'-P energy: -136.551
bonds (distance) P-C4' energy: -133.928
flat angles C4'-P-C4' energy: -158.236
flat angles P-C4'-P energy: -109.289
tors. eta vs tors. theta energy: -248.564
Dist. restrs. and SS energy: 9.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2609.319555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.319555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.758142 (E_RNA)
where:
Base-Base interactions energy: -1830.373
where: short stacking energy: -737.440
Base-Backbone interact. energy: -1.616
local terms energy: -790.769262
where:
bonds (distance) C4'-P energy: -149.407
bonds (distance) P-C4' energy: -133.030
flat angles C4'-P-C4' energy: -158.572
flat angles P-C4'-P energy: -120.080
tors. eta vs tors. theta energy: -229.680
Dist. restrs. and SS energy: 13.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2581.195309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.195309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.553791 (E_RNA)
where:
Base-Base interactions energy: -1840.421
where: short stacking energy: -759.070
Base-Backbone interact. energy: -1.226
local terms energy: -749.905934
where:
bonds (distance) C4'-P energy: -128.979
bonds (distance) P-C4' energy: -125.086
flat angles C4'-P-C4' energy: -148.178
flat angles P-C4'-P energy: -107.393
tors. eta vs tors. theta energy: -240.270
Dist. restrs. and SS energy: 10.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2454.219847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.219847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.090316 (E_RNA)
where:
Base-Base interactions energy: -1713.217
where: short stacking energy: -701.677
Base-Backbone interact. energy: -3.648
local terms energy: -747.225138
where:
bonds (distance) C4'-P energy: -131.022
bonds (distance) P-C4' energy: -132.894
flat angles C4'-P-C4' energy: -157.536
flat angles P-C4'-P energy: -110.166
tors. eta vs tors. theta energy: -215.607
Dist. restrs. and SS energy: 9.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2394.190108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.190108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.015323 (E_RNA)
where:
Base-Base interactions energy: -1682.479
where: short stacking energy: -689.231
Base-Backbone interact. energy: -3.230
local terms energy: -718.306171
where:
bonds (distance) C4'-P energy: -105.851
bonds (distance) P-C4' energy: -133.760
flat angles C4'-P-C4' energy: -158.289
flat angles P-C4'-P energy: -98.685
tors. eta vs tors. theta energy: -221.721
Dist. restrs. and SS energy: 9.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2349.849024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.849024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.714762 (E_RNA)
where:
Base-Base interactions energy: -1690.916
where: short stacking energy: -696.559
Base-Backbone interact. energy: -0.825
local terms energy: -668.973571
where:
bonds (distance) C4'-P energy: -100.687
bonds (distance) P-C4' energy: -112.744
flat angles C4'-P-C4' energy: -150.500
flat angles P-C4'-P energy: -92.691
tors. eta vs tors. theta energy: -212.351
Dist. restrs. and SS energy: 10.866 (S_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: -2267.275492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.275492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.862964 (E_RNA)
where:
Base-Base interactions energy: -1607.398
where: short stacking energy: -642.049
Base-Backbone interact. energy: 1.879
local terms energy: -674.343713
where:
bonds (distance) C4'-P energy: -107.406
bonds (distance) P-C4' energy: -118.809
flat angles C4'-P-C4' energy: -149.340
flat angles P-C4'-P energy: -89.463
tors. eta vs tors. theta energy: -209.326
Dist. restrs. and SS energy: 12.587 (S_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: 280
Temperature: 1.300000
Total energy: -2140.799512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.799512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.433940 (E_RNA)
where:
Base-Base interactions energy: -1559.163
where: short stacking energy: -616.379
Base-Backbone interact. energy: -1.451
local terms energy: -593.819139
where:
bonds (distance) C4'-P energy: -112.379
bonds (distance) P-C4' energy: -105.192
flat angles C4'-P-C4' energy: -133.579
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -188.136
Dist. restrs. and SS energy: 13.634 (S_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: 280
Temperature: 1.350000
Total energy: -2057.512811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.512811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.418284 (E_RNA)
where:
Base-Base interactions energy: -1477.608
where: short stacking energy: -583.830
Base-Backbone interact. energy: -0.540
local terms energy: -589.270518
where:
bonds (distance) C4'-P energy: -117.714
bonds (distance) P-C4' energy: -96.131
flat angles C4'-P-C4' energy: -123.769
flat angles P-C4'-P energy: -76.733
tors. eta vs tors. theta energy: -174.924
Dist. restrs. and SS energy: 9.905 (S_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: -2774.627154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.627154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.319913 (E_RNA)
where:
Base-Base interactions energy: -1953.293
where: short stacking energy: -811.910
Base-Backbone interact. energy: -1.941
local terms energy: -824.085310
where:
bonds (distance) C4'-P energy: -130.985
bonds (distance) P-C4' energy: -148.469
flat angles C4'-P-C4' energy: -171.157
flat angles P-C4'-P energy: -117.735
tors. eta vs tors. theta energy: -255.739
Dist. restrs. and SS energy: 4.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2688.515939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.515939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.074298 (E_RNA)
where:
Base-Base interactions energy: -1890.646
where: short stacking energy: -801.410
Base-Backbone interact. energy: -4.494
local terms energy: -802.934453
where:
bonds (distance) C4'-P energy: -116.730
bonds (distance) P-C4' energy: -133.332
flat angles C4'-P-C4' energy: -176.001
flat angles P-C4'-P energy: -123.821
tors. eta vs tors. theta energy: -253.051
Dist. restrs. and SS energy: 9.558 (S_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: 281
Temperature: 1.000000
Total energy: -2620.532825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.532825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.938499 (E_RNA)
where:
Base-Base interactions energy: -1881.304
where: short stacking energy: -773.890
Base-Backbone interact. energy: -0.989
local terms energy: -749.645357
where:
bonds (distance) C4'-P energy: -134.917
bonds (distance) P-C4' energy: -123.806
flat angles C4'-P-C4' energy: -148.208
flat angles P-C4'-P energy: -106.749
tors. eta vs tors. theta energy: -235.965
Dist. restrs. and SS energy: 11.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2559.793858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.793858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.284865 (E_RNA)
where:
Base-Base interactions energy: -1794.970
where: short stacking energy: -740.939
Base-Backbone interact. energy: -2.003
local terms energy: -775.312328
where:
bonds (distance) C4'-P energy: -141.424
bonds (distance) P-C4' energy: -127.694
flat angles C4'-P-C4' energy: -166.033
flat angles P-C4'-P energy: -106.092
tors. eta vs tors. theta energy: -234.068
Dist. restrs. and SS energy: 12.491 (S_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: 281
Temperature: 1.100000
Total energy: -2484.785602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.785602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.496411 (E_RNA)
where:
Base-Base interactions energy: -1743.739
where: short stacking energy: -707.153
Base-Backbone interact. energy: -4.257
local terms energy: -745.499682
where:
bonds (distance) C4'-P energy: -141.579
bonds (distance) P-C4' energy: -120.041
flat angles C4'-P-C4' energy: -157.657
flat angles P-C4'-P energy: -110.239
tors. eta vs tors. theta energy: -215.983
Dist. restrs. and SS energy: 8.711 (S_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: 281
Temperature: 1.150000
Total energy: -2368.617329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.617329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.742635 (E_RNA)
where:
Base-Base interactions energy: -1687.493
where: short stacking energy: -685.934
Base-Backbone interact. energy: -5.712
local terms energy: -686.538410
where:
bonds (distance) C4'-P energy: -121.010
bonds (distance) P-C4' energy: -112.925
flat angles C4'-P-C4' energy: -141.985
flat angles P-C4'-P energy: -96.124
tors. eta vs tors. theta energy: -214.494
Dist. restrs. and SS energy: 11.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2353.025978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.025978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.518403 (E_RNA)
where:
Base-Base interactions energy: -1678.063
where: short stacking energy: -667.206
Base-Backbone interact. energy: 3.112
local terms energy: -684.567760
where:
bonds (distance) C4'-P energy: -118.236
bonds (distance) P-C4' energy: -110.890
flat angles C4'-P-C4' energy: -150.879
flat angles P-C4'-P energy: -93.193
tors. eta vs tors. theta energy: -211.369
Dist. restrs. and SS energy: 6.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2192.295390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.295390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.152807 (E_RNA)
where:
Base-Base interactions energy: -1573.336
where: short stacking energy: -648.037
Base-Backbone interact. energy: -1.319
local terms energy: -632.498085
where:
bonds (distance) C4'-P energy: -98.240
bonds (distance) P-C4' energy: -109.766
flat angles C4'-P-C4' energy: -128.798
flat angles P-C4'-P energy: -94.345
tors. eta vs tors. theta energy: -201.349
Dist. restrs. and SS energy: 14.857 (S_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: 281
Temperature: 1.300000
Total energy: -2126.217189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.217189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.754868 (E_RNA)
where:
Base-Base interactions energy: -1534.565
where: short stacking energy: -618.487
Base-Backbone interact. energy: -2.949
local terms energy: -601.240888
where:
bonds (distance) C4'-P energy: -107.748
bonds (distance) P-C4' energy: -82.884
flat angles C4'-P-C4' energy: -126.294
flat angles P-C4'-P energy: -102.476
tors. eta vs tors. theta energy: -181.838
Dist. restrs. and SS energy: 12.538 (S_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: 281
Temperature: 1.350000
Total energy: -2036.444318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.444318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.135017 (E_RNA)
where:
Base-Base interactions energy: -1496.495
where: short stacking energy: -609.588
Base-Backbone interact. energy: 0.059
local terms energy: -554.698250
where:
bonds (distance) C4'-P energy: -85.916
bonds (distance) P-C4' energy: -88.279
flat angles C4'-P-C4' energy: -122.881
flat angles P-C4'-P energy: -74.117
tors. eta vs tors. theta energy: -183.505
Dist. restrs. and SS energy: 14.691 (S_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: -2807.058167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.058167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.207960 (E_RNA)
where:
Base-Base interactions energy: -1978.182
where: short stacking energy: -840.410
Base-Backbone interact. energy: -0.854
local terms energy: -832.172745
where:
bonds (distance) C4'-P energy: -144.243
bonds (distance) P-C4' energy: -142.906
flat angles C4'-P-C4' energy: -169.219
flat angles P-C4'-P energy: -119.358
tors. eta vs tors. theta energy: -256.448
Dist. restrs. and SS energy: 4.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2703.201613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.201613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.980703 (E_RNA)
where:
Base-Base interactions energy: -1912.916
where: short stacking energy: -783.657
Base-Backbone interact. energy: -2.538
local terms energy: -796.526119
where:
bonds (distance) C4'-P energy: -135.604
bonds (distance) P-C4' energy: -132.447
flat angles C4'-P-C4' energy: -165.212
flat angles P-C4'-P energy: -122.945
tors. eta vs tors. theta energy: -240.318
Dist. restrs. and SS energy: 8.779 (S_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: 282
Temperature: 1.000000
Total energy: -2626.819948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.819948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.374935 (E_RNA)
where:
Base-Base interactions energy: -1882.060
where: short stacking energy: -771.351
Base-Backbone interact. energy: -1.378
local terms energy: -752.936710
where:
bonds (distance) C4'-P energy: -121.526
bonds (distance) P-C4' energy: -125.068
flat angles C4'-P-C4' energy: -161.699
flat angles P-C4'-P energy: -110.937
tors. eta vs tors. theta energy: -233.708
Dist. restrs. and SS energy: 9.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2588.179429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.179429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.482060 (E_RNA)
where:
Base-Base interactions energy: -1839.086
where: short stacking energy: -752.182
Base-Backbone interact. energy: -4.256
local terms energy: -756.139556
where:
bonds (distance) C4'-P energy: -132.277
bonds (distance) P-C4' energy: -124.688
flat angles C4'-P-C4' energy: -156.898
flat angles P-C4'-P energy: -107.192
tors. eta vs tors. theta energy: -235.085
Dist. restrs. and SS energy: 11.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2477.483173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.483173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.289350 (E_RNA)
where:
Base-Base interactions energy: -1745.203
where: short stacking energy: -720.461
Base-Backbone interact. energy: -3.203
local terms energy: -740.883460
where:
bonds (distance) C4'-P energy: -124.867
bonds (distance) P-C4' energy: -125.795
flat angles C4'-P-C4' energy: -154.236
flat angles P-C4'-P energy: -118.336
tors. eta vs tors. theta energy: -217.648
Dist. restrs. and SS energy: 11.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2361.596487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.596487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.146469 (E_RNA)
where:
Base-Base interactions energy: -1662.094
where: short stacking energy: -691.472
Base-Backbone interact. energy: -4.192
local terms energy: -703.860719
where:
bonds (distance) C4'-P energy: -112.820
bonds (distance) P-C4' energy: -121.653
flat angles C4'-P-C4' energy: -138.560
flat angles P-C4'-P energy: -107.530
tors. eta vs tors. theta energy: -223.299
Dist. restrs. and SS energy: 8.550 (S_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: 282
Temperature: 1.200000
Total energy: -2362.888936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.888936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.282658 (E_RNA)
where:
Base-Base interactions energy: -1696.198
where: short stacking energy: -698.521
Base-Backbone interact. energy: -3.125
local terms energy: -673.959070
where:
bonds (distance) C4'-P energy: -106.793
bonds (distance) P-C4' energy: -112.130
flat angles C4'-P-C4' energy: -137.496
flat angles P-C4'-P energy: -90.915
tors. eta vs tors. theta energy: -226.625
Dist. restrs. and SS energy: 10.394 (S_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: 282
Temperature: 1.250000
Total energy: -2219.211419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.211419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.919063 (E_RNA)
where:
Base-Base interactions energy: -1558.200
where: short stacking energy: -629.592
Base-Backbone interact. energy: -3.078
local terms energy: -667.641641
where:
bonds (distance) C4'-P energy: -122.932
bonds (distance) P-C4' energy: -127.122
flat angles C4'-P-C4' energy: -133.014
flat angles P-C4'-P energy: -93.185
tors. eta vs tors. theta energy: -191.388
Dist. restrs. and SS energy: 9.708 (S_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: 282
Temperature: 1.300000
Total energy: -2110.801540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.801540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.464836 (E_RNA)
where:
Base-Base interactions energy: -1523.276
where: short stacking energy: -625.038
Base-Backbone interact. energy: -0.477
local terms energy: -601.711782
where:
bonds (distance) C4'-P energy: -95.839
bonds (distance) P-C4' energy: -105.862
flat angles C4'-P-C4' energy: -141.608
flat angles P-C4'-P energy: -72.532
tors. eta vs tors. theta energy: -185.871
Dist. restrs. and SS energy: 14.663 (S_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: 282
Temperature: 1.350000
Total energy: -2049.440005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.440005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.566089 (E_RNA)
where:
Base-Base interactions energy: -1483.115
where: short stacking energy: -590.698
Base-Backbone interact. energy: -1.893
local terms energy: -573.558443
where:
bonds (distance) C4'-P energy: -101.268
bonds (distance) P-C4' energy: -93.090
flat angles C4'-P-C4' energy: -133.874
flat angles P-C4'-P energy: -64.084
tors. eta vs tors. theta energy: -181.241
Dist. restrs. and SS energy: 9.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2784.929257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.929257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.514013 (E_RNA)
where:
Base-Base interactions energy: -1957.833
where: short stacking energy: -812.107
Base-Backbone interact. energy: -1.827
local terms energy: -828.853376
where:
bonds (distance) C4'-P energy: -137.177
bonds (distance) P-C4' energy: -141.267
flat angles C4'-P-C4' energy: -175.230
flat angles P-C4'-P energy: -122.371
tors. eta vs tors. theta energy: -252.808
Dist. restrs. and SS energy: 3.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2722.628714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.628714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.399693 (E_RNA)
where:
Base-Base interactions energy: -1893.509
where: short stacking energy: -770.440
Base-Backbone interact. energy: 0.059
local terms energy: -838.949953
where:
bonds (distance) C4'-P energy: -144.652
bonds (distance) P-C4' energy: -154.450
flat angles C4'-P-C4' energy: -172.906
flat angles P-C4'-P energy: -117.865
tors. eta vs tors. theta energy: -249.076
Dist. restrs. and SS energy: 9.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2616.976270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.976270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.961934 (E_RNA)
where:
Base-Base interactions energy: -1872.092
where: short stacking energy: -761.495
Base-Backbone interact. energy: -1.314
local terms energy: -755.555820
where:
bonds (distance) C4'-P energy: -130.585
bonds (distance) P-C4' energy: -136.666
flat angles C4'-P-C4' energy: -144.827
flat angles P-C4'-P energy: -101.133
tors. eta vs tors. theta energy: -242.344
Dist. restrs. and SS energy: 11.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2539.797837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.797837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.967396 (E_RNA)
where:
Base-Base interactions energy: -1825.743
where: short stacking energy: -749.103
Base-Backbone interact. energy: -3.270
local terms energy: -723.954129
where:
bonds (distance) C4'-P energy: -125.287
bonds (distance) P-C4' energy: -118.868
flat angles C4'-P-C4' energy: -144.656
flat angles P-C4'-P energy: -100.651
tors. eta vs tors. theta energy: -234.493
Dist. restrs. and SS energy: 13.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2474.649568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.649568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.152352 (E_RNA)
where:
Base-Base interactions energy: -1750.493
where: short stacking energy: -722.385
Base-Backbone interact. energy: -2.051
local terms energy: -729.608180
where:
bonds (distance) C4'-P energy: -112.809
bonds (distance) P-C4' energy: -129.181
flat angles C4'-P-C4' energy: -147.815
flat angles P-C4'-P energy: -116.381
tors. eta vs tors. theta energy: -223.421
Dist. restrs. and SS energy: 7.503 (S_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: 283
Temperature: 1.150000
Total energy: -2365.343897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.343897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.925207 (E_RNA)
where:
Base-Base interactions energy: -1665.497
where: short stacking energy: -676.461
Base-Backbone interact. energy: -2.383
local terms energy: -708.044747
where:
bonds (distance) C4'-P energy: -124.752
bonds (distance) P-C4' energy: -107.750
flat angles C4'-P-C4' energy: -155.285
flat angles P-C4'-P energy: -103.223
tors. eta vs tors. theta energy: -217.036
Dist. restrs. and SS energy: 10.581 (S_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: 283
Temperature: 1.200000
Total energy: -2308.334802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.334802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.180737 (E_RNA)
where:
Base-Base interactions energy: -1649.580
where: short stacking energy: -667.109
Base-Backbone interact. energy: 0.213
local terms energy: -667.813024
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -129.614
flat angles C4'-P-C4' energy: -156.327
flat angles P-C4'-P energy: -75.020
tors. eta vs tors. theta energy: -208.678
Dist. restrs. and SS energy: 8.846 (S_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: -2216.419795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.419795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.493092 (E_RNA)
where:
Base-Base interactions energy: -1590.304
where: short stacking energy: -661.001
Base-Backbone interact. energy: -3.016
local terms energy: -648.172736
where:
bonds (distance) C4'-P energy: -115.539
bonds (distance) P-C4' energy: -113.045
flat angles C4'-P-C4' energy: -127.138
flat angles P-C4'-P energy: -87.575
tors. eta vs tors. theta energy: -204.876
Dist. restrs. and SS energy: 25.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -2180.947567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.947567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.234951 (E_RNA)
where:
Base-Base interactions energy: -1570.095
where: short stacking energy: -610.651
Base-Backbone interact. energy: 3.963
local terms energy: -627.103663
where:
bonds (distance) C4'-P energy: -112.081
bonds (distance) P-C4' energy: -105.967
flat angles C4'-P-C4' energy: -122.836
flat angles P-C4'-P energy: -88.492
tors. eta vs tors. theta energy: -197.729
Dist. restrs. and SS energy: 12.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -2070.261400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.261400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.355200 (E_RNA)
where:
Base-Base interactions energy: -1469.375
where: short stacking energy: -604.575
Base-Backbone interact. energy: 0.328
local terms energy: -615.308721
where:
bonds (distance) C4'-P energy: -113.829
bonds (distance) P-C4' energy: -105.464
flat angles C4'-P-C4' energy: -136.864
flat angles P-C4'-P energy: -72.852
tors. eta vs tors. theta energy: -186.300
Dist. restrs. and SS energy: 14.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2773.824870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.824870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.396204 (E_RNA)
where:
Base-Base interactions energy: -1968.318
where: short stacking energy: -825.450
Base-Backbone interact. energy: -0.050
local terms energy: -808.028496
where:
bonds (distance) C4'-P energy: -150.641
bonds (distance) P-C4' energy: -126.682
flat angles C4'-P-C4' energy: -162.601
flat angles P-C4'-P energy: -119.910
tors. eta vs tors. theta energy: -248.194
Dist. restrs. and SS energy: 2.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2704.620414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.620414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.521373 (E_RNA)
where:
Base-Base interactions energy: -1907.624
where: short stacking energy: -798.067
Base-Backbone interact. energy: -1.911
local terms energy: -802.985728
where:
bonds (distance) C4'-P energy: -138.964
bonds (distance) P-C4' energy: -119.763
flat angles C4'-P-C4' energy: -164.357
flat angles P-C4'-P energy: -125.388
tors. eta vs tors. theta energy: -254.515
Dist. restrs. and SS energy: 7.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2607.471183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.471183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.529595 (E_RNA)
where:
Base-Base interactions energy: -1845.579
where: short stacking energy: -755.249
Base-Backbone interact. energy: -0.152
local terms energy: -774.798250
where:
bonds (distance) C4'-P energy: -138.505
bonds (distance) P-C4' energy: -135.101
flat angles C4'-P-C4' energy: -150.595
flat angles P-C4'-P energy: -107.309
tors. eta vs tors. theta energy: -243.288
Dist. restrs. and SS energy: 13.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2534.771390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.771390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.999432 (E_RNA)
where:
Base-Base interactions energy: -1813.823
where: short stacking energy: -741.019
Base-Backbone interact. energy: -1.889
local terms energy: -731.287671
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -118.112
flat angles C4'-P-C4' energy: -162.996
flat angles P-C4'-P energy: -108.471
tors. eta vs tors. theta energy: -220.796
Dist. restrs. and SS energy: 12.228 (S_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: 284
Temperature: 1.100000
Total energy: -2477.950121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.950121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.941114 (E_RNA)
where:
Base-Base interactions energy: -1746.378
where: short stacking energy: -722.720
Base-Backbone interact. energy: -2.985
local terms energy: -736.578417
where:
bonds (distance) C4'-P energy: -115.198
bonds (distance) P-C4' energy: -135.973
flat angles C4'-P-C4' energy: -150.135
flat angles P-C4'-P energy: -111.884
tors. eta vs tors. theta energy: -223.388
Dist. restrs. and SS energy: 7.991 (S_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: 284
Temperature: 1.150000
Total energy: -2371.576943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.576943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.978018 (E_RNA)
where:
Base-Base interactions energy: -1654.720
where: short stacking energy: -675.879
Base-Backbone interact. energy: -1.272
local terms energy: -726.986229
where:
bonds (distance) C4'-P energy: -119.393
bonds (distance) P-C4' energy: -129.863
flat angles C4'-P-C4' energy: -147.807
flat angles P-C4'-P energy: -109.098
tors. eta vs tors. theta energy: -220.825
Dist. restrs. and SS energy: 11.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2363.323922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.323922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.613074 (E_RNA)
where:
Base-Base interactions energy: -1686.540
where: short stacking energy: -691.160
Base-Backbone interact. energy: -1.017
local terms energy: -683.056129
where:
bonds (distance) C4'-P energy: -113.886
bonds (distance) P-C4' energy: -106.241
flat angles C4'-P-C4' energy: -146.397
flat angles P-C4'-P energy: -97.386
tors. eta vs tors. theta energy: -219.146
Dist. restrs. and SS energy: 7.289 (S_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: -2212.867188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.867188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.843197 (E_RNA)
where:
Base-Base interactions energy: -1578.547
where: short stacking energy: -649.789
Base-Backbone interact. energy: 0.046
local terms energy: -646.341394
where:
bonds (distance) C4'-P energy: -106.414
bonds (distance) P-C4' energy: -114.267
flat angles C4'-P-C4' energy: -133.693
flat angles P-C4'-P energy: -91.127
tors. eta vs tors. theta energy: -200.840
Dist. restrs. and SS energy: 11.976 (S_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: 284
Temperature: 1.300000
Total energy: -2162.052119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.052119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.319961 (E_RNA)
where:
Base-Base interactions energy: -1577.214
where: short stacking energy: -626.366
Base-Backbone interact. energy: -0.196
local terms energy: -595.909912
where:
bonds (distance) C4'-P energy: -90.837
bonds (distance) P-C4' energy: -87.251
flat angles C4'-P-C4' energy: -126.067
flat angles P-C4'-P energy: -84.283
tors. eta vs tors. theta energy: -207.472
Dist. restrs. and SS energy: 11.268 (S_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: 284
Temperature: 1.350000
Total energy: -2039.351446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.351446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.571131 (E_RNA)
where:
Base-Base interactions energy: -1433.523
where: short stacking energy: -584.005
Base-Backbone interact. energy: -1.903
local terms energy: -624.145554
where:
bonds (distance) C4'-P energy: -106.436
bonds (distance) P-C4' energy: -130.409
flat angles C4'-P-C4' energy: -133.937
flat angles P-C4'-P energy: -71.161
tors. eta vs tors. theta energy: -182.202
Dist. restrs. and SS energy: 20.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2770.876852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.876852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.420532 (E_RNA)
where:
Base-Base interactions energy: -1977.874
where: short stacking energy: -820.933
Base-Backbone interact. energy: -0.449
local terms energy: -796.097735
where:
bonds (distance) C4'-P energy: -143.106
bonds (distance) P-C4' energy: -125.900
flat angles C4'-P-C4' energy: -163.554
flat angles P-C4'-P energy: -120.934
tors. eta vs tors. theta energy: -242.604
Dist. restrs. and SS energy: 3.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2690.690414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.690414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.284854 (E_RNA)
where:
Base-Base interactions energy: -1892.667
where: short stacking energy: -791.183
Base-Backbone interact. energy: -4.754
local terms energy: -800.864353
where:
bonds (distance) C4'-P energy: -137.395
bonds (distance) P-C4' energy: -140.200
flat angles C4'-P-C4' energy: -161.074
flat angles P-C4'-P energy: -113.624
tors. eta vs tors. theta energy: -248.572
Dist. restrs. and SS energy: 7.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2622.602026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.602026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.337440 (E_RNA)
where:
Base-Base interactions energy: -1846.829
where: short stacking energy: -780.213
Base-Backbone interact. energy: -1.521
local terms energy: -787.987473
where:
bonds (distance) C4'-P energy: -134.893
bonds (distance) P-C4' energy: -139.317
flat angles C4'-P-C4' energy: -158.675
flat angles P-C4'-P energy: -114.658
tors. eta vs tors. theta energy: -240.444
Dist. restrs. and SS energy: 13.735 (S_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: 285
Temperature: 1.050000
Total energy: -2526.996184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.996184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.720641 (E_RNA)
where:
Base-Base interactions energy: -1827.804
where: short stacking energy: -750.758
Base-Backbone interact. energy: -2.187
local terms energy: -706.729408
where:
bonds (distance) C4'-P energy: -130.621
bonds (distance) P-C4' energy: -115.092
flat angles C4'-P-C4' energy: -135.170
flat angles P-C4'-P energy: -104.319
tors. eta vs tors. theta energy: -221.527
Dist. restrs. and SS energy: 9.724 (S_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: 285
Temperature: 1.100000
Total energy: -2480.154524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.154524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.379482 (E_RNA)
where:
Base-Base interactions energy: -1775.520
where: short stacking energy: -716.762
Base-Backbone interact. energy: -1.619
local terms energy: -715.241147
where:
bonds (distance) C4'-P energy: -128.632
bonds (distance) P-C4' energy: -131.188
flat angles C4'-P-C4' energy: -140.350
flat angles P-C4'-P energy: -100.058
tors. eta vs tors. theta energy: -215.013
Dist. restrs. and SS energy: 12.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2378.297765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.297765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.601489 (E_RNA)
where:
Base-Base interactions energy: -1712.263
where: short stacking energy: -696.805
Base-Backbone interact. energy: 0.319
local terms energy: -671.657455
where:
bonds (distance) C4'-P energy: -105.472
bonds (distance) P-C4' energy: -101.447
flat angles C4'-P-C4' energy: -153.686
flat angles P-C4'-P energy: -100.502
tors. eta vs tors. theta energy: -210.550
Dist. restrs. and SS energy: 5.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2303.359202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.359202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.052686 (E_RNA)
where:
Base-Base interactions energy: -1656.237
where: short stacking energy: -679.307
Base-Backbone interact. energy: -1.106
local terms energy: -663.709017
where:
bonds (distance) C4'-P energy: -116.040
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -141.035
flat angles P-C4'-P energy: -92.620
tors. eta vs tors. theta energy: -197.294
Dist. restrs. and SS energy: 17.693 (S_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: 285
Temperature: 1.250000
Total energy: -2222.521770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.521770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.253712 (E_RNA)
where:
Base-Base interactions energy: -1569.870
where: short stacking energy: -648.624
Base-Backbone interact. energy: 2.092
local terms energy: -662.475794
where:
bonds (distance) C4'-P energy: -124.563
bonds (distance) P-C4' energy: -102.542
flat angles C4'-P-C4' energy: -152.589
flat angles P-C4'-P energy: -88.638
tors. eta vs tors. theta energy: -194.143
Dist. restrs. and SS energy: 7.732 (S_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: 285
Temperature: 1.300000
Total energy: -2164.418237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.418237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.609592 (E_RNA)
where:
Base-Base interactions energy: -1565.470
where: short stacking energy: -631.164
Base-Backbone interact. energy: 2.931
local terms energy: -609.070891
where:
bonds (distance) C4'-P energy: -103.746
bonds (distance) P-C4' energy: -114.263
flat angles C4'-P-C4' energy: -131.433
flat angles P-C4'-P energy: -73.638
tors. eta vs tors. theta energy: -185.992
Dist. restrs. and SS energy: 7.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -2070.027311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.027311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.749706 (E_RNA)
where:
Base-Base interactions energy: -1466.918
where: short stacking energy: -581.791
Base-Backbone interact. energy: -5.353
local terms energy: -611.478654
where:
bonds (distance) C4'-P energy: -117.230
bonds (distance) P-C4' energy: -109.577
flat angles C4'-P-C4' energy: -105.003
flat angles P-C4'-P energy: -89.395
tors. eta vs tors. theta energy: -190.274
Dist. restrs. and SS energy: 13.722 (S_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: 286
Temperature: 0.900000
Total energy: -2811.880137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.880137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.304364 (E_RNA)
where:
Base-Base interactions energy: -1964.896
where: short stacking energy: -824.096
Base-Backbone interact. energy: -0.113
local terms energy: -851.295292
where:
bonds (distance) C4'-P energy: -146.626
bonds (distance) P-C4' energy: -144.559
flat angles C4'-P-C4' energy: -177.175
flat angles P-C4'-P energy: -123.283
tors. eta vs tors. theta energy: -259.652
Dist. restrs. and SS energy: 4.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2716.402665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.402665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.364386 (E_RNA)
where:
Base-Base interactions energy: -1920.519
where: short stacking energy: -794.293
Base-Backbone interact. energy: -1.918
local terms energy: -799.927256
where:
bonds (distance) C4'-P energy: -138.008
bonds (distance) P-C4' energy: -132.550
flat angles C4'-P-C4' energy: -166.863
flat angles P-C4'-P energy: -117.664
tors. eta vs tors. theta energy: -244.843
Dist. restrs. and SS energy: 5.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2618.949732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.949732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.449718 (E_RNA)
where:
Base-Base interactions energy: -1850.207
where: short stacking energy: -761.074
Base-Backbone interact. energy: -2.133
local terms energy: -781.109426
where:
bonds (distance) C4'-P energy: -137.890
bonds (distance) P-C4' energy: -142.765
flat angles C4'-P-C4' energy: -160.009
flat angles P-C4'-P energy: -100.853
tors. eta vs tors. theta energy: -239.593
Dist. restrs. and SS energy: 14.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2522.715673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.715673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.379648 (E_RNA)
where:
Base-Base interactions energy: -1799.628
where: short stacking energy: -744.981
Base-Backbone interact. energy: -3.996
local terms energy: -727.755004
where:
bonds (distance) C4'-P energy: -120.822
bonds (distance) P-C4' energy: -118.176
flat angles C4'-P-C4' energy: -152.858
flat angles P-C4'-P energy: -107.578
tors. eta vs tors. theta energy: -228.320
Dist. restrs. and SS energy: 8.664 (S_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: 286
Temperature: 1.100000
Total energy: -2489.856142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.856142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.127235 (E_RNA)
where:
Base-Base interactions energy: -1774.832
where: short stacking energy: -727.690
Base-Backbone interact. energy: -3.162
local terms energy: -723.132554
where:
bonds (distance) C4'-P energy: -126.233
bonds (distance) P-C4' energy: -137.958
flat angles C4'-P-C4' energy: -133.818
flat angles P-C4'-P energy: -109.222
tors. eta vs tors. theta energy: -215.900
Dist. restrs. and SS energy: 11.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2421.798390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.798390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.861833 (E_RNA)
where:
Base-Base interactions energy: -1712.527
where: short stacking energy: -685.916
Base-Backbone interact. energy: -0.488
local terms energy: -715.846832
where:
bonds (distance) C4'-P energy: -133.861
bonds (distance) P-C4' energy: -121.682
flat angles C4'-P-C4' energy: -145.245
flat angles P-C4'-P energy: -91.375
tors. eta vs tors. theta energy: -223.683
Dist. restrs. and SS energy: 7.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2349.762803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.762803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.499639 (E_RNA)
where:
Base-Base interactions energy: -1691.251
where: short stacking energy: -685.118
Base-Backbone interact. energy: 2.106
local terms energy: -669.354562
where:
bonds (distance) C4'-P energy: -117.654
bonds (distance) P-C4' energy: -127.597
flat angles C4'-P-C4' energy: -135.372
flat angles P-C4'-P energy: -82.030
tors. eta vs tors. theta energy: -206.702
Dist. restrs. and SS energy: 8.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2233.919667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.919667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.478915 (E_RNA)
where:
Base-Base interactions energy: -1603.962
where: short stacking energy: -647.799
Base-Backbone interact. energy: 2.488
local terms energy: -644.005002
where:
bonds (distance) C4'-P energy: -107.372
bonds (distance) P-C4' energy: -110.734
flat angles C4'-P-C4' energy: -125.341
flat angles P-C4'-P energy: -101.856
tors. eta vs tors. theta energy: -198.702
Dist. restrs. and SS energy: 11.559 (S_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: 286
Temperature: 1.300000
Total energy: -2205.142547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.142547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.314586 (E_RNA)
where:
Base-Base interactions energy: -1587.307
where: short stacking energy: -632.467
Base-Backbone interact. energy: 5.158
local terms energy: -631.164800
where:
bonds (distance) C4'-P energy: -102.332
bonds (distance) P-C4' energy: -123.047
flat angles C4'-P-C4' energy: -138.517
flat angles P-C4'-P energy: -66.149
tors. eta vs tors. theta energy: -201.120
Dist. restrs. and SS energy: 8.172 (S_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: 286
Temperature: 1.350000
Total energy: -2039.242458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.242458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.982399 (E_RNA)
where:
Base-Base interactions energy: -1445.242
where: short stacking energy: -591.576
Base-Backbone interact. energy: -0.452
local terms energy: -611.288756
where:
bonds (distance) C4'-P energy: -127.075
bonds (distance) P-C4' energy: -102.035
flat angles C4'-P-C4' energy: -126.372
flat angles P-C4'-P energy: -71.967
tors. eta vs tors. theta energy: -183.840
Dist. restrs. and SS energy: 17.740 (S_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: 287
Temperature: 0.900000
Total energy: -2811.358792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.358792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.778804 (E_RNA)
where:
Base-Base interactions energy: -1989.799
where: short stacking energy: -830.602
Base-Backbone interact. energy: 0.312
local terms energy: -826.291675
where:
bonds (distance) C4'-P energy: -144.192
bonds (distance) P-C4' energy: -134.704
flat angles C4'-P-C4' energy: -167.509
flat angles P-C4'-P energy: -125.410
tors. eta vs tors. theta energy: -254.476
Dist. restrs. and SS energy: 4.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2689.981485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.981485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.513972 (E_RNA)
where:
Base-Base interactions energy: -1948.829
where: short stacking energy: -787.682
Base-Backbone interact. energy: 0.269
local terms energy: -748.953999
where:
bonds (distance) C4'-P energy: -118.254
bonds (distance) P-C4' energy: -126.364
flat angles C4'-P-C4' energy: -152.345
flat angles P-C4'-P energy: -117.765
tors. eta vs tors. theta energy: -234.225
Dist. restrs. and SS energy: 7.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2667.184445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.184445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.472281 (E_RNA)
where:
Base-Base interactions energy: -1904.876
where: short stacking energy: -768.272
Base-Backbone interact. energy: -2.365
local terms energy: -774.231583
where:
bonds (distance) C4'-P energy: -138.596
bonds (distance) P-C4' energy: -135.742
flat angles C4'-P-C4' energy: -163.670
flat angles P-C4'-P energy: -104.317
tors. eta vs tors. theta energy: -231.907
Dist. restrs. and SS energy: 14.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2560.663120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.663120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.648581 (E_RNA)
where:
Base-Base interactions energy: -1818.304
where: short stacking energy: -726.241
Base-Backbone interact. energy: -2.752
local terms energy: -755.592844
where:
bonds (distance) C4'-P energy: -117.805
bonds (distance) P-C4' energy: -139.235
flat angles C4'-P-C4' energy: -156.155
flat angles P-C4'-P energy: -119.878
tors. eta vs tors. theta energy: -222.520
Dist. restrs. and SS energy: 15.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2499.727957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.727957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.741309 (E_RNA)
where:
Base-Base interactions energy: -1795.158
where: short stacking energy: -730.304
Base-Backbone interact. energy: -1.997
local terms energy: -714.586407
where:
bonds (distance) C4'-P energy: -108.131
bonds (distance) P-C4' energy: -121.737
flat angles C4'-P-C4' energy: -147.591
flat angles P-C4'-P energy: -99.760
tors. eta vs tors. theta energy: -237.367
Dist. restrs. and SS energy: 12.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2419.463457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.463457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.493997 (E_RNA)
where:
Base-Base interactions energy: -1717.555
where: short stacking energy: -704.236
Base-Backbone interact. energy: -4.170
local terms energy: -706.768728
where:
bonds (distance) C4'-P energy: -122.260
bonds (distance) P-C4' energy: -118.561
flat angles C4'-P-C4' energy: -144.752
flat angles P-C4'-P energy: -103.358
tors. eta vs tors. theta energy: -217.838
Dist. restrs. and SS energy: 9.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2362.174300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.174300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.463810 (E_RNA)
where:
Base-Base interactions energy: -1675.642
where: short stacking energy: -673.798
Base-Backbone interact. energy: 4.167
local terms energy: -699.988831
where:
bonds (distance) C4'-P energy: -130.199
bonds (distance) P-C4' energy: -112.447
flat angles C4'-P-C4' energy: -147.831
flat angles P-C4'-P energy: -103.588
tors. eta vs tors. theta energy: -205.924
Dist. restrs. and SS energy: 9.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -2201.961683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.961683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.102734 (E_RNA)
where:
Base-Base interactions energy: -1581.616
where: short stacking energy: -632.417
Base-Backbone interact. energy: -1.787
local terms energy: -631.699398
where:
bonds (distance) C4'-P energy: -107.408
bonds (distance) P-C4' energy: -119.437
flat angles C4'-P-C4' energy: -133.673
flat angles P-C4'-P energy: -82.188
tors. eta vs tors. theta energy: -188.993
Dist. restrs. and SS energy: 13.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -2199.942884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.942884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.001347 (E_RNA)
where:
Base-Base interactions energy: -1559.668
where: short stacking energy: -647.233
Base-Backbone interact. energy: 0.439
local terms energy: -653.772372
where:
bonds (distance) C4'-P energy: -89.834
bonds (distance) P-C4' energy: -115.421
flat angles C4'-P-C4' energy: -143.752
flat angles P-C4'-P energy: -98.209
tors. eta vs tors. theta energy: -206.557
Dist. restrs. and SS energy: 13.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -2108.568324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.568324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.963538 (E_RNA)
where:
Base-Base interactions energy: -1492.640
where: short stacking energy: -597.290
Base-Backbone interact. energy: -1.592
local terms energy: -621.731729
where:
bonds (distance) C4'-P energy: -111.621
bonds (distance) P-C4' energy: -109.838
flat angles C4'-P-C4' energy: -141.413
flat angles P-C4'-P energy: -74.710
tors. eta vs tors. theta energy: -184.150
Dist. restrs. and SS energy: 7.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2735.119616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.119616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.261773 (E_RNA)
where:
Base-Base interactions energy: -1950.493
where: short stacking energy: -803.249
Base-Backbone interact. energy: -3.183
local terms energy: -788.586149
where:
bonds (distance) C4'-P energy: -139.326
bonds (distance) P-C4' energy: -129.251
flat angles C4'-P-C4' energy: -171.974
flat angles P-C4'-P energy: -105.861
tors. eta vs tors. theta energy: -242.174
Dist. restrs. and SS energy: 7.142 (S_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: -2745.584803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.584803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.268687 (E_RNA)
where:
Base-Base interactions energy: -1937.381
where: short stacking energy: -810.463
Base-Backbone interact. energy: -1.843
local terms energy: -814.045239
where:
bonds (distance) C4'-P energy: -147.912
bonds (distance) P-C4' energy: -130.427
flat angles C4'-P-C4' energy: -169.954
flat angles P-C4'-P energy: -114.129
tors. eta vs tors. theta energy: -251.623
Dist. restrs. and SS energy: 7.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2616.070632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.070632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.676451 (E_RNA)
where:
Base-Base interactions energy: -1865.690
where: short stacking energy: -758.128
Base-Backbone interact. energy: -1.780
local terms energy: -763.206581
where:
bonds (distance) C4'-P energy: -140.324
bonds (distance) P-C4' energy: -135.083
flat angles C4'-P-C4' energy: -152.149
flat angles P-C4'-P energy: -100.715
tors. eta vs tors. theta energy: -234.935
Dist. restrs. and SS energy: 14.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2550.765805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.765805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.247124 (E_RNA)
where:
Base-Base interactions energy: -1839.161
where: short stacking energy: -751.401
Base-Backbone interact. energy: -4.016
local terms energy: -720.069525
where:
bonds (distance) C4'-P energy: -133.957
bonds (distance) P-C4' energy: -116.039
flat angles C4'-P-C4' energy: -139.685
flat angles P-C4'-P energy: -94.223
tors. eta vs tors. theta energy: -236.165
Dist. restrs. and SS energy: 12.481 (S_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: 288
Temperature: 1.100000
Total energy: -2496.095277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.095277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.718836 (E_RNA)
where:
Base-Base interactions energy: -1771.266
where: short stacking energy: -717.264
Base-Backbone interact. energy: -3.847
local terms energy: -731.605711
where:
bonds (distance) C4'-P energy: -123.268
bonds (distance) P-C4' energy: -127.820
flat angles C4'-P-C4' energy: -146.712
flat angles P-C4'-P energy: -102.990
tors. eta vs tors. theta energy: -230.815
Dist. restrs. and SS energy: 10.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2382.250212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.250212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.690436 (E_RNA)
where:
Base-Base interactions energy: -1710.546
where: short stacking energy: -705.757
Base-Backbone interact. energy: -2.286
local terms energy: -676.857702
where:
bonds (distance) C4'-P energy: -106.719
bonds (distance) P-C4' energy: -128.014
flat angles C4'-P-C4' energy: -141.052
flat angles P-C4'-P energy: -79.972
tors. eta vs tors. theta energy: -221.099
Dist. restrs. and SS energy: 7.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2354.484525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.484525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.738295 (E_RNA)
where:
Base-Base interactions energy: -1685.938
where: short stacking energy: -685.375
Base-Backbone interact. energy: -2.953
local terms energy: -679.847619
where:
bonds (distance) C4'-P energy: -108.277
bonds (distance) P-C4' energy: -121.114
flat angles C4'-P-C4' energy: -142.504
flat angles P-C4'-P energy: -91.486
tors. eta vs tors. theta energy: -216.465
Dist. restrs. and SS energy: 14.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2229.595828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.595828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.182334 (E_RNA)
where:
Base-Base interactions energy: -1567.012
where: short stacking energy: -631.423
Base-Backbone interact. energy: 1.020
local terms energy: -677.189721
where:
bonds (distance) C4'-P energy: -103.385
bonds (distance) P-C4' energy: -130.932
flat angles C4'-P-C4' energy: -154.016
flat angles P-C4'-P energy: -83.280
tors. eta vs tors. theta energy: -205.577
Dist. restrs. and SS energy: 13.587 (S_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: 288
Temperature: 1.300000
Total energy: -2153.573852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.573852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.266854 (E_RNA)
where:
Base-Base interactions energy: -1568.644
where: short stacking energy: -618.934
Base-Backbone interact. energy: 0.623
local terms energy: -591.245680
where:
bonds (distance) C4'-P energy: -108.345
bonds (distance) P-C4' energy: -84.878
flat angles C4'-P-C4' energy: -136.556
flat angles P-C4'-P energy: -83.152
tors. eta vs tors. theta energy: -178.314
Dist. restrs. and SS energy: 5.693 (S_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: 288
Temperature: 1.350000
Total energy: -2098.834058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.834058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.308915 (E_RNA)
where:
Base-Base interactions energy: -1522.529
where: short stacking energy: -588.821
Base-Backbone interact. energy: -2.482
local terms energy: -584.298727
where:
bonds (distance) C4'-P energy: -94.644
bonds (distance) P-C4' energy: -124.977
flat angles C4'-P-C4' energy: -119.512
flat angles P-C4'-P energy: -76.367
tors. eta vs tors. theta energy: -168.799
Dist. restrs. and SS energy: 10.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2727.514633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.514633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.378832 (E_RNA)
where:
Base-Base interactions energy: -1932.678
where: short stacking energy: -801.184
Base-Backbone interact. energy: -1.426
local terms energy: -803.274930
where:
bonds (distance) C4'-P energy: -136.978
bonds (distance) P-C4' energy: -136.648
flat angles C4'-P-C4' energy: -166.629
flat angles P-C4'-P energy: -115.044
tors. eta vs tors. theta energy: -247.976
Dist. restrs. and SS energy: 9.864 (S_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: -2737.407885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.407885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.091437 (E_RNA)
where:
Base-Base interactions energy: -1928.184
where: short stacking energy: -830.887
Base-Backbone interact. energy: -0.419
local terms energy: -816.488112
where:
bonds (distance) C4'-P energy: -134.767
bonds (distance) P-C4' energy: -146.016
flat angles C4'-P-C4' energy: -166.878
flat angles P-C4'-P energy: -113.390
tors. eta vs tors. theta energy: -255.438
Dist. restrs. and SS energy: 7.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2588.794195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.794195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.722269 (E_RNA)
where:
Base-Base interactions energy: -1824.646
where: short stacking energy: -752.716
Base-Backbone interact. energy: -1.868
local terms energy: -778.208265
where:
bonds (distance) C4'-P energy: -118.291
bonds (distance) P-C4' energy: -149.246
flat angles C4'-P-C4' energy: -159.034
flat angles P-C4'-P energy: -112.331
tors. eta vs tors. theta energy: -239.307
Dist. restrs. and SS energy: 15.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2560.095351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.095351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.797857 (E_RNA)
where:
Base-Base interactions energy: -1839.765
where: short stacking energy: -737.858
Base-Backbone interact. energy: -0.354
local terms energy: -733.679598
where:
bonds (distance) C4'-P energy: -111.879
bonds (distance) P-C4' energy: -150.068
flat angles C4'-P-C4' energy: -144.910
flat angles P-C4'-P energy: -100.457
tors. eta vs tors. theta energy: -226.366
Dist. restrs. and SS energy: 13.703 (S_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: 289
Temperature: 1.100000
Total energy: -2474.458947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.458947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.729771 (E_RNA)
where:
Base-Base interactions energy: -1738.112
where: short stacking energy: -690.327
Base-Backbone interact. energy: -0.399
local terms energy: -747.217908
where:
bonds (distance) C4'-P energy: -141.650
bonds (distance) P-C4' energy: -140.613
flat angles C4'-P-C4' energy: -147.297
flat angles P-C4'-P energy: -103.592
tors. eta vs tors. theta energy: -214.066
Dist. restrs. and SS energy: 11.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2366.532444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.532444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.989562 (E_RNA)
where:
Base-Base interactions energy: -1672.828
where: short stacking energy: -692.534
Base-Backbone interact. energy: 2.215
local terms energy: -702.376766
where:
bonds (distance) C4'-P energy: -125.189
bonds (distance) P-C4' energy: -126.923
flat angles C4'-P-C4' energy: -142.677
flat angles P-C4'-P energy: -87.943
tors. eta vs tors. theta energy: -219.645
Dist. restrs. and SS energy: 6.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2307.227957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.227957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.146227 (E_RNA)
where:
Base-Base interactions energy: -1627.041
where: short stacking energy: -649.848
Base-Backbone interact. energy: -2.806
local terms energy: -691.299475
where:
bonds (distance) C4'-P energy: -131.355
bonds (distance) P-C4' energy: -129.587
flat angles C4'-P-C4' energy: -144.629
flat angles P-C4'-P energy: -85.404
tors. eta vs tors. theta energy: -200.326
Dist. restrs. and SS energy: 13.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -2217.906966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.906966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.476215 (E_RNA)
where:
Base-Base interactions energy: -1594.775
where: short stacking energy: -646.114
Base-Backbone interact. energy: -0.620
local terms energy: -633.081260
where:
bonds (distance) C4'-P energy: -117.089
bonds (distance) P-C4' energy: -118.578
flat angles C4'-P-C4' energy: -121.115
flat angles P-C4'-P energy: -92.498
tors. eta vs tors. theta energy: -183.802
Dist. restrs. and SS energy: 10.569 (S_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: 289
Temperature: 1.300000
Total energy: -2173.022985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.022985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.610698 (E_RNA)
where:
Base-Base interactions energy: -1558.099
where: short stacking energy: -614.027
Base-Backbone interact. energy: 0.375
local terms energy: -619.886842
where:
bonds (distance) C4'-P energy: -94.947
bonds (distance) P-C4' energy: -126.308
flat angles C4'-P-C4' energy: -126.926
flat angles P-C4'-P energy: -88.952
tors. eta vs tors. theta energy: -182.755
Dist. restrs. and SS energy: 4.588 (S_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: 289
Temperature: 1.350000
Total energy: -2102.153957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.153957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.401388 (E_RNA)
where:
Base-Base interactions energy: -1510.655
where: short stacking energy: -614.344
Base-Backbone interact. energy: -2.330
local terms energy: -597.416512
where:
bonds (distance) C4'-P energy: -93.078
bonds (distance) P-C4' energy: -125.727
flat angles C4'-P-C4' energy: -112.533
flat angles P-C4'-P energy: -73.151
tors. eta vs tors. theta energy: -192.928
Dist. restrs. and SS energy: 8.247 (S_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: 290
Temperature: 0.900000
Total energy: -2802.393720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.393720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.074869 (E_RNA)
where:
Base-Base interactions energy: -1983.934
where: short stacking energy: -838.165
Base-Backbone interact. energy: -1.870
local terms energy: -824.270963
where:
bonds (distance) C4'-P energy: -131.074
bonds (distance) P-C4' energy: -149.245
flat angles C4'-P-C4' energy: -167.306
flat angles P-C4'-P energy: -122.290
tors. eta vs tors. theta energy: -254.357
Dist. restrs. and SS energy: 7.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2682.947988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.947988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.312978 (E_RNA)
where:
Base-Base interactions energy: -1890.977
where: short stacking energy: -770.192
Base-Backbone interact. energy: -2.421
local terms energy: -796.915472
where:
bonds (distance) C4'-P energy: -142.698
bonds (distance) P-C4' energy: -131.305
flat angles C4'-P-C4' energy: -169.910
flat angles P-C4'-P energy: -121.161
tors. eta vs tors. theta energy: -231.842
Dist. restrs. and SS energy: 7.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2657.682069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.682069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.328770 (E_RNA)
where:
Base-Base interactions energy: -1907.431
where: short stacking energy: -779.707
Base-Backbone interact. energy: -2.002
local terms energy: -760.896301
where:
bonds (distance) C4'-P energy: -113.187
bonds (distance) P-C4' energy: -127.832
flat angles C4'-P-C4' energy: -157.635
flat angles P-C4'-P energy: -121.352
tors. eta vs tors. theta energy: -240.891
Dist. restrs. and SS energy: 12.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2566.861229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.861229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.691237 (E_RNA)
where:
Base-Base interactions energy: -1837.299
where: short stacking energy: -752.187
Base-Backbone interact. energy: -3.901
local terms energy: -740.492060
where:
bonds (distance) C4'-P energy: -130.745
bonds (distance) P-C4' energy: -131.944
flat angles C4'-P-C4' energy: -155.299
flat angles P-C4'-P energy: -99.867
tors. eta vs tors. theta energy: -222.637
Dist. restrs. and SS energy: 14.830 (S_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: 290
Temperature: 1.100000
Total energy: -2471.777634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.777634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.342693 (E_RNA)
where:
Base-Base interactions energy: -1752.857
where: short stacking energy: -722.498
Base-Backbone interact. energy: -2.603
local terms energy: -725.883165
where:
bonds (distance) C4'-P energy: -111.635
bonds (distance) P-C4' energy: -124.590
flat angles C4'-P-C4' energy: -152.436
flat angles P-C4'-P energy: -114.384
tors. eta vs tors. theta energy: -222.838
Dist. restrs. and SS energy: 9.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2362.858631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.858631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.986781 (E_RNA)
where:
Base-Base interactions energy: -1688.570
where: short stacking energy: -674.390
Base-Backbone interact. energy: -1.915
local terms energy: -681.502366
where:
bonds (distance) C4'-P energy: -113.142
bonds (distance) P-C4' energy: -126.060
flat angles C4'-P-C4' energy: -140.226
flat angles P-C4'-P energy: -97.123
tors. eta vs tors. theta energy: -204.951
Dist. restrs. and SS energy: 9.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2268.770030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.770030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.706820 (E_RNA)
where:
Base-Base interactions energy: -1622.557
where: short stacking energy: -653.752
Base-Backbone interact. energy: -2.289
local terms energy: -649.860312
where:
bonds (distance) C4'-P energy: -119.984
bonds (distance) P-C4' energy: -108.004
flat angles C4'-P-C4' energy: -143.623
flat angles P-C4'-P energy: -83.275
tors. eta vs tors. theta energy: -194.975
Dist. restrs. and SS energy: 5.937 (S_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: 290
Temperature: 1.250000
Total energy: -2266.958910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.958910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.279748 (E_RNA)
where:
Base-Base interactions energy: -1599.835
where: short stacking energy: -638.303
Base-Backbone interact. energy: -2.046
local terms energy: -677.398799
where:
bonds (distance) C4'-P energy: -121.093
bonds (distance) P-C4' energy: -118.493
flat angles C4'-P-C4' energy: -141.562
flat angles P-C4'-P energy: -89.043
tors. eta vs tors. theta energy: -207.207
Dist. restrs. and SS energy: 12.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -2243.036818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.036818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.561709 (E_RNA)
where:
Base-Base interactions energy: -1602.325
where: short stacking energy: -649.494
Base-Backbone interact. energy: 1.474
local terms energy: -655.711447
where:
bonds (distance) C4'-P energy: -121.794
bonds (distance) P-C4' energy: -111.429
flat angles C4'-P-C4' energy: -139.931
flat angles P-C4'-P energy: -90.911
tors. eta vs tors. theta energy: -191.646
Dist. restrs. and SS energy: 13.525 (S_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: 290
Temperature: 1.350000
Total energy: -2143.875483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.875483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.755681 (E_RNA)
where:
Base-Base interactions energy: -1518.832
where: short stacking energy: -604.873
Base-Backbone interact. energy: -0.865
local terms energy: -639.058112
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -113.222
flat angles C4'-P-C4' energy: -138.638
flat angles P-C4'-P energy: -86.872
tors. eta vs tors. theta energy: -193.505
Dist. restrs. and SS energy: 14.880 (S_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: 291
Temperature: 0.900000
Total energy: -2816.080372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.080372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.327606 (E_RNA)
where:
Base-Base interactions energy: -1993.111
where: short stacking energy: -826.792
Base-Backbone interact. energy: -2.189
local terms energy: -826.027677
where:
bonds (distance) C4'-P energy: -133.122
bonds (distance) P-C4' energy: -148.885
flat angles C4'-P-C4' energy: -174.349
flat angles P-C4'-P energy: -118.585
tors. eta vs tors. theta energy: -251.087
Dist. restrs. and SS energy: 5.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2676.911241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.911241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.300662 (E_RNA)
where:
Base-Base interactions energy: -1904.744
where: short stacking energy: -775.161
Base-Backbone interact. energy: -2.756
local terms energy: -784.800480
where:
bonds (distance) C4'-P energy: -143.646
bonds (distance) P-C4' energy: -138.512
flat angles C4'-P-C4' energy: -156.682
flat angles P-C4'-P energy: -111.352
tors. eta vs tors. theta energy: -234.609
Dist. restrs. and SS energy: 15.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2660.434833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.434833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.613864 (E_RNA)
where:
Base-Base interactions energy: -1877.438
where: short stacking energy: -780.681
Base-Backbone interact. energy: -2.087
local terms energy: -789.088385
where:
bonds (distance) C4'-P energy: -146.301
bonds (distance) P-C4' energy: -130.646
flat angles C4'-P-C4' energy: -167.832
flat angles P-C4'-P energy: -111.273
tors. eta vs tors. theta energy: -233.037
Dist. restrs. and SS energy: 8.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2560.447940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.447940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.536430 (E_RNA)
where:
Base-Base interactions energy: -1834.562
where: short stacking energy: -738.362
Base-Backbone interact. energy: -0.971
local terms energy: -738.004101
where:
bonds (distance) C4'-P energy: -118.984
bonds (distance) P-C4' energy: -135.045
flat angles C4'-P-C4' energy: -145.806
flat angles P-C4'-P energy: -111.387
tors. eta vs tors. theta energy: -226.782
Dist. restrs. and SS energy: 13.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2500.277213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.277213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.025673 (E_RNA)
where:
Base-Base interactions energy: -1785.515
where: short stacking energy: -705.906
Base-Backbone interact. energy: -2.423
local terms energy: -724.087550
where:
bonds (distance) C4'-P energy: -124.204
bonds (distance) P-C4' energy: -115.402
flat angles C4'-P-C4' energy: -159.050
flat angles P-C4'-P energy: -105.266
tors. eta vs tors. theta energy: -220.166
Dist. restrs. and SS energy: 11.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2342.691136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.691136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.476880 (E_RNA)
where:
Base-Base interactions energy: -1692.133
where: short stacking energy: -711.360
Base-Backbone interact. energy: -2.053
local terms energy: -657.291008
where:
bonds (distance) C4'-P energy: -113.380
bonds (distance) P-C4' energy: -122.826
flat angles C4'-P-C4' energy: -125.439
flat angles P-C4'-P energy: -91.775
tors. eta vs tors. theta energy: -203.871
Dist. restrs. and SS energy: 8.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2277.530420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.530420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.041649 (E_RNA)
where:
Base-Base interactions energy: -1623.409
where: short stacking energy: -660.308
Base-Backbone interact. energy: 2.240
local terms energy: -665.872633
where:
bonds (distance) C4'-P energy: -111.027
bonds (distance) P-C4' energy: -125.146
flat angles C4'-P-C4' energy: -146.953
flat angles P-C4'-P energy: -90.984
tors. eta vs tors. theta energy: -191.764
Dist. restrs. and SS energy: 9.511 (S_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: 291
Temperature: 1.250000
Total energy: -2244.489700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.489700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.043017 (E_RNA)
where:
Base-Base interactions energy: -1577.268
where: short stacking energy: -638.793
Base-Backbone interact. energy: 1.975
local terms energy: -688.749953
where:
bonds (distance) C4'-P energy: -120.001
bonds (distance) P-C4' energy: -129.182
flat angles C4'-P-C4' energy: -133.209
flat angles P-C4'-P energy: -99.682
tors. eta vs tors. theta energy: -206.676
Dist. restrs. and SS energy: 19.553 (S_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: 291
Temperature: 1.300000
Total energy: -2192.999117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.999117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.590956 (E_RNA)
where:
Base-Base interactions energy: -1580.664
where: short stacking energy: -628.963
Base-Backbone interact. energy: 1.558
local terms energy: -624.485308
where:
bonds (distance) C4'-P energy: -94.675
bonds (distance) P-C4' energy: -102.063
flat angles C4'-P-C4' energy: -133.820
flat angles P-C4'-P energy: -99.054
tors. eta vs tors. theta energy: -194.874
Dist. restrs. and SS energy: 10.592 (S_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: 291
Temperature: 1.350000
Total energy: -2195.542248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.542248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.144111 (E_RNA)
where:
Base-Base interactions energy: -1566.555
where: short stacking energy: -643.643
Base-Backbone interact. energy: 2.591
local terms energy: -644.180372
where:
bonds (distance) C4'-P energy: -100.524
bonds (distance) P-C4' energy: -119.709
flat angles C4'-P-C4' energy: -130.625
flat angles P-C4'-P energy: -88.785
tors. eta vs tors. theta energy: -204.537
Dist. restrs. and SS energy: 12.602 (S_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: 292
Temperature: 0.900000
Total energy: -2803.132640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.132640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.542081 (E_RNA)
where:
Base-Base interactions energy: -1974.470
where: short stacking energy: -810.471
Base-Backbone interact. energy: -0.685
local terms energy: -834.386734
where:
bonds (distance) C4'-P energy: -153.429
bonds (distance) P-C4' energy: -145.334
flat angles C4'-P-C4' energy: -171.705
flat angles P-C4'-P energy: -114.459
tors. eta vs tors. theta energy: -249.461
Dist. restrs. and SS energy: 6.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2685.286992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.286992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.339005 (E_RNA)
where:
Base-Base interactions energy: -1908.373
where: short stacking energy: -761.707
Base-Backbone interact. energy: -1.366
local terms energy: -787.600532
where:
bonds (distance) C4'-P energy: -143.427
bonds (distance) P-C4' energy: -139.816
flat angles C4'-P-C4' energy: -156.171
flat angles P-C4'-P energy: -117.021
tors. eta vs tors. theta energy: -231.165
Dist. restrs. and SS energy: 12.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2660.767680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.767680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.708532 (E_RNA)
where:
Base-Base interactions energy: -1881.875
where: short stacking energy: -777.465
Base-Backbone interact. energy: -3.373
local terms energy: -782.460289
where:
bonds (distance) C4'-P energy: -141.452
bonds (distance) P-C4' energy: -126.238
flat angles C4'-P-C4' energy: -159.904
flat angles P-C4'-P energy: -116.645
tors. eta vs tors. theta energy: -238.222
Dist. restrs. and SS energy: 6.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2526.848262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.848262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.804555 (E_RNA)
where:
Base-Base interactions energy: -1785.254
where: short stacking energy: -733.955
Base-Backbone interact. energy: -2.841
local terms energy: -752.710089
where:
bonds (distance) C4'-P energy: -123.555
bonds (distance) P-C4' energy: -122.833
flat angles C4'-P-C4' energy: -166.904
flat angles P-C4'-P energy: -106.334
tors. eta vs tors. theta energy: -233.084
Dist. restrs. and SS energy: 13.956 (S_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: 292
Temperature: 1.100000
Total energy: -2490.547774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.547774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.309554 (E_RNA)
where:
Base-Base interactions energy: -1796.493
where: short stacking energy: -723.190
Base-Backbone interact. energy: -0.023
local terms energy: -706.792980
where:
bonds (distance) C4'-P energy: -113.134
bonds (distance) P-C4' energy: -129.669
flat angles C4'-P-C4' energy: -149.471
flat angles P-C4'-P energy: -97.753
tors. eta vs tors. theta energy: -216.765
Dist. restrs. and SS energy: 12.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2329.306752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.306752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.547924 (E_RNA)
where:
Base-Base interactions energy: -1677.449
where: short stacking energy: -681.833
Base-Backbone interact. energy: -0.452
local terms energy: -659.646986
where:
bonds (distance) C4'-P energy: -111.104
bonds (distance) P-C4' energy: -110.760
flat angles C4'-P-C4' energy: -130.501
flat angles P-C4'-P energy: -93.240
tors. eta vs tors. theta energy: -214.042
Dist. restrs. and SS energy: 8.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2264.640399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.640399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.085064 (E_RNA)
where:
Base-Base interactions energy: -1591.571
where: short stacking energy: -655.814
Base-Backbone interact. energy: -1.374
local terms energy: -684.140378
where:
bonds (distance) C4'-P energy: -116.635
bonds (distance) P-C4' energy: -125.674
flat angles C4'-P-C4' energy: -134.810
flat angles P-C4'-P energy: -92.988
tors. eta vs tors. theta energy: -214.035
Dist. restrs. and SS energy: 12.445 (S_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: 292
Temperature: 1.250000
Total energy: -2283.984677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.984677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.528520 (E_RNA)
where:
Base-Base interactions energy: -1645.663
where: short stacking energy: -667.107
Base-Backbone interact. energy: 0.903
local terms energy: -648.769035
where:
bonds (distance) C4'-P energy: -111.847
bonds (distance) P-C4' energy: -105.684
flat angles C4'-P-C4' energy: -140.998
flat angles P-C4'-P energy: -90.009
tors. eta vs tors. theta energy: -200.231
Dist. restrs. and SS energy: 9.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -2242.791641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.791641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.388719 (E_RNA)
where:
Base-Base interactions energy: -1613.308
where: short stacking energy: -658.460
Base-Backbone interact. energy: 2.815
local terms energy: -638.895464
where:
bonds (distance) C4'-P energy: -116.835
bonds (distance) P-C4' energy: -112.093
flat angles C4'-P-C4' energy: -129.772
flat angles P-C4'-P energy: -79.357
tors. eta vs tors. theta energy: -200.839
Dist. restrs. and SS energy: 6.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -2082.620857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.620857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.887453 (E_RNA)
where:
Base-Base interactions energy: -1504.697
where: short stacking energy: -584.811
Base-Backbone interact. energy: -1.406
local terms energy: -586.784829
where:
bonds (distance) C4'-P energy: -92.377
bonds (distance) P-C4' energy: -113.796
flat angles C4'-P-C4' energy: -129.488
flat angles P-C4'-P energy: -79.573
tors. eta vs tors. theta energy: -171.551
Dist. restrs. and SS energy: 10.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2806.658382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.658382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.069156 (E_RNA)
where:
Base-Base interactions energy: -2008.830
where: short stacking energy: -814.428
Base-Backbone interact. energy: -0.184
local terms energy: -804.055983
where:
bonds (distance) C4'-P energy: -139.582
bonds (distance) P-C4' energy: -126.915
flat angles C4'-P-C4' energy: -174.268
flat angles P-C4'-P energy: -112.645
tors. eta vs tors. theta energy: -250.646
Dist. restrs. and SS energy: 6.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2683.190535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.190535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.037294 (E_RNA)
where:
Base-Base interactions energy: -1919.053
where: short stacking energy: -786.715
Base-Backbone interact. energy: -0.963
local terms energy: -777.021378
where:
bonds (distance) C4'-P energy: -132.786
bonds (distance) P-C4' energy: -124.838
flat angles C4'-P-C4' energy: -161.661
flat angles P-C4'-P energy: -118.384
tors. eta vs tors. theta energy: -239.352
Dist. restrs. and SS energy: 13.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2603.208233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.208233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.557273 (E_RNA)
where:
Base-Base interactions energy: -1827.306
where: short stacking energy: -751.692
Base-Backbone interact. energy: -1.386
local terms energy: -780.864948
where:
bonds (distance) C4'-P energy: -135.045
bonds (distance) P-C4' energy: -132.779
flat angles C4'-P-C4' energy: -156.710
flat angles P-C4'-P energy: -122.525
tors. eta vs tors. theta energy: -233.806
Dist. restrs. and SS energy: 6.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2552.294107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.294107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.907861 (E_RNA)
where:
Base-Base interactions energy: -1809.965
where: short stacking energy: -732.441
Base-Backbone interact. energy: -2.066
local terms energy: -751.877235
where:
bonds (distance) C4'-P energy: -138.587
bonds (distance) P-C4' energy: -126.559
flat angles C4'-P-C4' energy: -162.507
flat angles P-C4'-P energy: -97.994
tors. eta vs tors. theta energy: -226.230
Dist. restrs. and SS energy: 11.614 (S_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: 293
Temperature: 1.100000
Total energy: -2509.417146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.417146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.651150 (E_RNA)
where:
Base-Base interactions energy: -1789.364
where: short stacking energy: -707.559
Base-Backbone interact. energy: -1.035
local terms energy: -732.251917
where:
bonds (distance) C4'-P energy: -127.007
bonds (distance) P-C4' energy: -134.185
flat angles C4'-P-C4' energy: -149.617
flat angles P-C4'-P energy: -105.302
tors. eta vs tors. theta energy: -216.140
Dist. restrs. and SS energy: 13.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2389.860857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.860857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.270544 (E_RNA)
where:
Base-Base interactions energy: -1746.735
where: short stacking energy: -691.919
Base-Backbone interact. energy: -1.059
local terms energy: -647.476316
where:
bonds (distance) C4'-P energy: -94.054
bonds (distance) P-C4' energy: -104.755
flat angles C4'-P-C4' energy: -138.556
flat angles P-C4'-P energy: -84.779
tors. eta vs tors. theta energy: -225.332
Dist. restrs. and SS energy: 5.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2255.253037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.253037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.959151 (E_RNA)
where:
Base-Base interactions energy: -1608.446
where: short stacking energy: -643.621
Base-Backbone interact. energy: 0.593
local terms energy: -659.105898
where:
bonds (distance) C4'-P energy: -123.432
bonds (distance) P-C4' energy: -110.760
flat angles C4'-P-C4' energy: -146.102
flat angles P-C4'-P energy: -95.309
tors. eta vs tors. theta energy: -183.503
Dist. restrs. and SS energy: 11.706 (S_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: 293
Temperature: 1.250000
Total energy: -2274.834761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.834761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.312374 (E_RNA)
where:
Base-Base interactions energy: -1640.015
where: short stacking energy: -672.450
Base-Backbone interact. energy: 1.133
local terms energy: -648.430009
where:
bonds (distance) C4'-P energy: -111.954
bonds (distance) P-C4' energy: -107.993
flat angles C4'-P-C4' energy: -128.952
flat angles P-C4'-P energy: -96.920
tors. eta vs tors. theta energy: -202.612
Dist. restrs. and SS energy: 12.478 (S_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: 293
Temperature: 1.300000
Total energy: -2170.911132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.911132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.562804 (E_RNA)
where:
Base-Base interactions energy: -1539.757
where: short stacking energy: -621.974
Base-Backbone interact. energy: -1.589
local terms energy: -639.217310
where:
bonds (distance) C4'-P energy: -109.531
bonds (distance) P-C4' energy: -104.218
flat angles C4'-P-C4' energy: -147.767
flat angles P-C4'-P energy: -80.159
tors. eta vs tors. theta energy: -197.542
Dist. restrs. and SS energy: 9.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -2128.192184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.192184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.642911 (E_RNA)
where:
Base-Base interactions energy: -1553.692
where: short stacking energy: -591.688
Base-Backbone interact. energy: 2.919
local terms energy: -594.870462
where:
bonds (distance) C4'-P energy: -72.575
bonds (distance) P-C4' energy: -119.326
flat angles C4'-P-C4' energy: -125.399
flat angles P-C4'-P energy: -87.459
tors. eta vs tors. theta energy: -190.111
Dist. restrs. and SS energy: 17.451 (S_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: 294
Temperature: 0.900000
Total energy: -2773.268163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.268163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.458519 (E_RNA)
where:
Base-Base interactions energy: -1964.862
where: short stacking energy: -798.495
Base-Backbone interact. energy: -4.527
local terms energy: -811.070140
where:
bonds (distance) C4'-P energy: -142.721
bonds (distance) P-C4' energy: -139.187
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -118.493
tors. eta vs tors. theta energy: -248.579
Dist. restrs. and SS energy: 7.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2685.579436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.579436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.253524 (E_RNA)
where:
Base-Base interactions energy: -1908.688
where: short stacking energy: -783.174
Base-Backbone interact. energy: 2.035
local terms energy: -789.600090
where:
bonds (distance) C4'-P energy: -130.390
bonds (distance) P-C4' energy: -134.374
flat angles C4'-P-C4' energy: -164.636
flat angles P-C4'-P energy: -111.025
tors. eta vs tors. theta energy: -249.175
Dist. restrs. and SS energy: 10.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2637.804642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.804642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.454580 (E_RNA)
where:
Base-Base interactions energy: -1867.476
where: short stacking energy: -774.765
Base-Backbone interact. energy: -2.863
local terms energy: -775.115802
where:
bonds (distance) C4'-P energy: -126.685
bonds (distance) P-C4' energy: -140.186
flat angles C4'-P-C4' energy: -159.220
flat angles P-C4'-P energy: -115.996
tors. eta vs tors. theta energy: -233.029
Dist. restrs. and SS energy: 7.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2568.215765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.215765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.673888 (E_RNA)
where:
Base-Base interactions energy: -1830.222
where: short stacking energy: -759.615
Base-Backbone interact. energy: -0.822
local terms energy: -748.629332
where:
bonds (distance) C4'-P energy: -125.675
bonds (distance) P-C4' energy: -130.229
flat angles C4'-P-C4' energy: -153.653
flat angles P-C4'-P energy: -99.776
tors. eta vs tors. theta energy: -239.297
Dist. restrs. and SS energy: 11.458 (S_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: 294
Temperature: 1.100000
Total energy: -2498.997152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.997152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.791505 (E_RNA)
where:
Base-Base interactions energy: -1772.591
where: short stacking energy: -700.662
Base-Backbone interact. energy: -4.331
local terms energy: -733.869292
where:
bonds (distance) C4'-P energy: -128.445
bonds (distance) P-C4' energy: -138.771
flat angles C4'-P-C4' energy: -140.264
flat angles P-C4'-P energy: -112.609
tors. eta vs tors. theta energy: -213.780
Dist. restrs. and SS energy: 11.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2370.803048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.803048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.629715 (E_RNA)
where:
Base-Base interactions energy: -1703.735
where: short stacking energy: -677.708
Base-Backbone interact. energy: -2.632
local terms energy: -688.262922
where:
bonds (distance) C4'-P energy: -97.851
bonds (distance) P-C4' energy: -146.235
flat angles C4'-P-C4' energy: -140.928
flat angles P-C4'-P energy: -95.196
tors. eta vs tors. theta energy: -208.053
Dist. restrs. and SS energy: 23.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2293.563655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.563655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.842815 (E_RNA)
where:
Base-Base interactions energy: -1626.819
where: short stacking energy: -640.632
Base-Backbone interact. energy: 1.428
local terms energy: -687.452567
where:
bonds (distance) C4'-P energy: -130.948
bonds (distance) P-C4' energy: -122.787
flat angles C4'-P-C4' energy: -138.119
flat angles P-C4'-P energy: -86.671
tors. eta vs tors. theta energy: -208.928
Dist. restrs. and SS energy: 19.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2229.453044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.453044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.127729 (E_RNA)
where:
Base-Base interactions energy: -1592.434
where: short stacking energy: -649.493
Base-Backbone interact. energy: 1.109
local terms energy: -650.802789
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -96.096
flat angles C4'-P-C4' energy: -149.165
flat angles P-C4'-P energy: -90.662
tors. eta vs tors. theta energy: -192.543
Dist. restrs. and SS energy: 12.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -2156.494921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.494921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.611349 (E_RNA)
where:
Base-Base interactions energy: -1539.242
where: short stacking energy: -622.160
Base-Backbone interact. energy: -1.572
local terms energy: -624.797177
where:
bonds (distance) C4'-P energy: -93.012
bonds (distance) P-C4' energy: -120.573
flat angles C4'-P-C4' energy: -132.575
flat angles P-C4'-P energy: -82.142
tors. eta vs tors. theta energy: -196.494
Dist. restrs. and SS energy: 9.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -2075.976057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.976057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.362859 (E_RNA)
where:
Base-Base interactions energy: -1493.327
where: short stacking energy: -609.067
Base-Backbone interact. energy: -0.501
local terms energy: -599.534523
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -107.490
flat angles C4'-P-C4' energy: -125.245
flat angles P-C4'-P energy: -82.557
tors. eta vs tors. theta energy: -183.787
Dist. restrs. and SS energy: 17.387 (S_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: 295
Temperature: 0.900000
Total energy: -2829.067622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.067622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.338431 (E_RNA)
where:
Base-Base interactions energy: -2001.583
where: short stacking energy: -826.153
Base-Backbone interact. energy: -1.518
local terms energy: -833.237819
where:
bonds (distance) C4'-P energy: -142.624
bonds (distance) P-C4' energy: -145.788
flat angles C4'-P-C4' energy: -165.447
flat angles P-C4'-P energy: -121.083
tors. eta vs tors. theta energy: -258.295
Dist. restrs. and SS energy: 7.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2690.561510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.561510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.797896 (E_RNA)
where:
Base-Base interactions energy: -1924.851
where: short stacking energy: -798.767
Base-Backbone interact. energy: 0.611
local terms energy: -780.558171
where:
bonds (distance) C4'-P energy: -120.500
bonds (distance) P-C4' energy: -143.330
flat angles C4'-P-C4' energy: -167.791
flat angles P-C4'-P energy: -107.573
tors. eta vs tors. theta energy: -241.365
Dist. restrs. and SS energy: 14.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2624.749843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.749843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.988299 (E_RNA)
where:
Base-Base interactions energy: -1884.417
where: short stacking energy: -771.057
Base-Backbone interact. energy: -1.816
local terms energy: -746.754546
where:
bonds (distance) C4'-P energy: -133.953
bonds (distance) P-C4' energy: -130.958
flat angles C4'-P-C4' energy: -144.279
flat angles P-C4'-P energy: -107.537
tors. eta vs tors. theta energy: -230.027
Dist. restrs. and SS energy: 8.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2571.778450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.778450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.555166 (E_RNA)
where:
Base-Base interactions energy: -1836.790
where: short stacking energy: -748.570
Base-Backbone interact. energy: -2.669
local terms energy: -743.095617
where:
bonds (distance) C4'-P energy: -125.019
bonds (distance) P-C4' energy: -128.804
flat angles C4'-P-C4' energy: -144.980
flat angles P-C4'-P energy: -111.732
tors. eta vs tors. theta energy: -232.561
Dist. restrs. and SS energy: 10.777 (S_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: 295
Temperature: 1.100000
Total energy: -2449.253200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.253200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.373755 (E_RNA)
where:
Base-Base interactions energy: -1746.451
where: short stacking energy: -697.726
Base-Backbone interact. energy: -1.905
local terms energy: -710.017302
where:
bonds (distance) C4'-P energy: -125.716
bonds (distance) P-C4' energy: -118.641
flat angles C4'-P-C4' energy: -156.384
flat angles P-C4'-P energy: -85.495
tors. eta vs tors. theta energy: -223.781
Dist. restrs. and SS energy: 9.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2418.101863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.101863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.200439 (E_RNA)
where:
Base-Base interactions energy: -1723.746
where: short stacking energy: -687.475
Base-Backbone interact. energy: -1.489
local terms energy: -703.965634
where:
bonds (distance) C4'-P energy: -109.127
bonds (distance) P-C4' energy: -125.782
flat angles C4'-P-C4' energy: -152.735
flat angles P-C4'-P energy: -96.173
tors. eta vs tors. theta energy: -220.149
Dist. restrs. and SS energy: 11.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2382.919482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.919482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.324468 (E_RNA)
where:
Base-Base interactions energy: -1714.635
where: short stacking energy: -714.075
Base-Backbone interact. energy: -2.805
local terms energy: -672.885329
where:
bonds (distance) C4'-P energy: -107.206
bonds (distance) P-C4' energy: -97.529
flat angles C4'-P-C4' energy: -147.782
flat angles P-C4'-P energy: -99.893
tors. eta vs tors. theta energy: -220.475
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2242.986720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.986720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.015247 (E_RNA)
where:
Base-Base interactions energy: -1584.882
where: short stacking energy: -632.953
Base-Backbone interact. energy: -0.743
local terms energy: -666.390645
where:
bonds (distance) C4'-P energy: -113.379
bonds (distance) P-C4' energy: -109.802
flat angles C4'-P-C4' energy: -156.237
flat angles P-C4'-P energy: -84.985
tors. eta vs tors. theta energy: -201.988
Dist. restrs. and SS energy: 9.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -2119.670488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.670488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.021505 (E_RNA)
where:
Base-Base interactions energy: -1493.817
where: short stacking energy: -587.237
Base-Backbone interact. energy: 0.567
local terms energy: -639.771287
where:
bonds (distance) C4'-P energy: -118.759
bonds (distance) P-C4' energy: -112.869
flat angles C4'-P-C4' energy: -139.151
flat angles P-C4'-P energy: -87.215
tors. eta vs tors. theta energy: -181.777
Dist. restrs. and SS energy: 13.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -2077.000180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.000180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.433780 (E_RNA)
where:
Base-Base interactions energy: -1480.351
where: short stacking energy: -602.744
Base-Backbone interact. energy: 1.053
local terms energy: -614.135481
where:
bonds (distance) C4'-P energy: -102.561
bonds (distance) P-C4' energy: -117.776
flat angles C4'-P-C4' energy: -124.090
flat angles P-C4'-P energy: -83.980
tors. eta vs tors. theta energy: -185.728
Dist. restrs. and SS energy: 16.434 (S_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: 296
Temperature: 0.900000
Total energy: -2825.296834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.296834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.625391 (E_RNA)
where:
Base-Base interactions energy: -1999.558
where: short stacking energy: -811.050
Base-Backbone interact. energy: -0.317
local terms energy: -832.750877
where:
bonds (distance) C4'-P energy: -150.281
bonds (distance) P-C4' energy: -138.289
flat angles C4'-P-C4' energy: -168.066
flat angles P-C4'-P energy: -119.131
tors. eta vs tors. theta energy: -256.985
Dist. restrs. and SS energy: 7.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2687.437545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.437545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.517932 (E_RNA)
where:
Base-Base interactions energy: -1893.301
where: short stacking energy: -772.368
Base-Backbone interact. energy: -0.780
local terms energy: -804.436804
where:
bonds (distance) C4'-P energy: -135.475
bonds (distance) P-C4' energy: -147.559
flat angles C4'-P-C4' energy: -169.823
flat angles P-C4'-P energy: -114.035
tors. eta vs tors. theta energy: -237.545
Dist. restrs. and SS energy: 11.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2616.319378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.319378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.135307 (E_RNA)
where:
Base-Base interactions energy: -1852.072
where: short stacking energy: -775.410
Base-Backbone interact. energy: 0.857
local terms energy: -776.919755
where:
bonds (distance) C4'-P energy: -144.770
bonds (distance) P-C4' energy: -129.384
flat angles C4'-P-C4' energy: -158.021
flat angles P-C4'-P energy: -109.993
tors. eta vs tors. theta energy: -234.752
Dist. restrs. and SS energy: 11.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2566.277449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.277449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.466322 (E_RNA)
where:
Base-Base interactions energy: -1809.323
where: short stacking energy: -763.531
Base-Backbone interact. energy: -1.242
local terms energy: -764.901793
where:
bonds (distance) C4'-P energy: -124.503
bonds (distance) P-C4' energy: -133.167
flat angles C4'-P-C4' energy: -161.385
flat angles P-C4'-P energy: -111.496
tors. eta vs tors. theta energy: -234.350
Dist. restrs. and SS energy: 9.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2511.855774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.855774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.612661 (E_RNA)
where:
Base-Base interactions energy: -1792.167
where: short stacking energy: -731.255
Base-Backbone interact. energy: -1.448
local terms energy: -726.997783
where:
bonds (distance) C4'-P energy: -124.072
bonds (distance) P-C4' energy: -131.009
flat angles C4'-P-C4' energy: -154.287
flat angles P-C4'-P energy: -94.719
tors. eta vs tors. theta energy: -222.911
Dist. restrs. and SS energy: 8.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2440.716655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.716655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.405539 (E_RNA)
where:
Base-Base interactions energy: -1723.380
where: short stacking energy: -711.871
Base-Backbone interact. energy: 2.987
local terms energy: -731.012055
where:
bonds (distance) C4'-P energy: -117.722
bonds (distance) P-C4' energy: -122.465
flat angles C4'-P-C4' energy: -149.714
flat angles P-C4'-P energy: -107.427
tors. eta vs tors. theta energy: -233.685
Dist. restrs. and SS energy: 10.689 (S_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: 296
Temperature: 1.200000
Total energy: -2367.102436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.102436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.124214 (E_RNA)
where:
Base-Base interactions energy: -1690.152
where: short stacking energy: -715.109
Base-Backbone interact. energy: -0.455
local terms energy: -692.517072
where:
bonds (distance) C4'-P energy: -121.414
bonds (distance) P-C4' energy: -110.924
flat angles C4'-P-C4' energy: -135.489
flat angles P-C4'-P energy: -101.752
tors. eta vs tors. theta energy: -222.938
Dist. restrs. and SS energy: 16.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2262.697587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.697587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.334327 (E_RNA)
where:
Base-Base interactions energy: -1595.309
where: short stacking energy: -666.133
Base-Backbone interact. energy: -3.340
local terms energy: -677.685780
where:
bonds (distance) C4'-P energy: -118.872
bonds (distance) P-C4' energy: -111.945
flat angles C4'-P-C4' energy: -130.474
flat angles P-C4'-P energy: -101.675
tors. eta vs tors. theta energy: -214.719
Dist. restrs. and SS energy: 13.637 (S_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: 296
Temperature: 1.300000
Total energy: -2154.622010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.622010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.618354 (E_RNA)
where:
Base-Base interactions energy: -1543.584
where: short stacking energy: -614.579
Base-Backbone interact. energy: -0.180
local terms energy: -618.853925
where:
bonds (distance) C4'-P energy: -117.658
bonds (distance) P-C4' energy: -106.572
flat angles C4'-P-C4' energy: -130.713
flat angles P-C4'-P energy: -83.315
tors. eta vs tors. theta energy: -180.597
Dist. restrs. and SS energy: 7.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -2068.730750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.730750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.332143 (E_RNA)
where:
Base-Base interactions energy: -1487.072
where: short stacking energy: -604.520
Base-Backbone interact. energy: 4.207
local terms energy: -593.467127
where:
bonds (distance) C4'-P energy: -89.936
bonds (distance) P-C4' energy: -112.470
flat angles C4'-P-C4' energy: -125.969
flat angles P-C4'-P energy: -79.827
tors. eta vs tors. theta energy: -185.265
Dist. restrs. and SS energy: 7.601 (S_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: 297
Temperature: 0.900000
Total energy: -2780.562331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.562331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.142926 (E_RNA)
where:
Base-Base interactions energy: -1989.262
where: short stacking energy: -788.612
Base-Backbone interact. energy: 0.240
local terms energy: -801.120701
where:
bonds (distance) C4'-P energy: -141.830
bonds (distance) P-C4' energy: -127.062
flat angles C4'-P-C4' energy: -164.843
flat angles P-C4'-P energy: -124.790
tors. eta vs tors. theta energy: -242.595
Dist. restrs. and SS energy: 9.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2678.487705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.487705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.912866 (E_RNA)
where:
Base-Base interactions energy: -1900.281
where: short stacking energy: -790.274
Base-Backbone interact. energy: -2.266
local terms energy: -790.365591
where:
bonds (distance) C4'-P energy: -129.872
bonds (distance) P-C4' energy: -130.436
flat angles C4'-P-C4' energy: -170.907
flat angles P-C4'-P energy: -116.879
tors. eta vs tors. theta energy: -242.271
Dist. restrs. and SS energy: 14.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2616.295207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.295207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.026789 (E_RNA)
where:
Base-Base interactions energy: -1836.572
where: short stacking energy: -745.091
Base-Backbone interact. energy: 3.334
local terms energy: -795.788782
where:
bonds (distance) C4'-P energy: -137.612
bonds (distance) P-C4' energy: -147.496
flat angles C4'-P-C4' energy: -164.964
flat angles P-C4'-P energy: -110.697
tors. eta vs tors. theta energy: -235.021
Dist. restrs. and SS energy: 12.732 (S_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: 297
Temperature: 1.050000
Total energy: -2561.734785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.734785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.664970 (E_RNA)
where:
Base-Base interactions energy: -1826.955
where: short stacking energy: -734.621
Base-Backbone interact. energy: -3.240
local terms energy: -744.469906
where:
bonds (distance) C4'-P energy: -128.960
bonds (distance) P-C4' energy: -128.086
flat angles C4'-P-C4' energy: -152.622
flat angles P-C4'-P energy: -106.965
tors. eta vs tors. theta energy: -227.836
Dist. restrs. and SS energy: 12.930 (S_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: 297
Temperature: 1.100000
Total energy: -2511.742266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.742266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.231337 (E_RNA)
where:
Base-Base interactions energy: -1781.983
where: short stacking energy: -710.866
Base-Backbone interact. energy: -1.543
local terms energy: -736.705593
where:
bonds (distance) C4'-P energy: -132.499
bonds (distance) P-C4' energy: -128.291
flat angles C4'-P-C4' energy: -149.680
flat angles P-C4'-P energy: -102.247
tors. eta vs tors. theta energy: -223.989
Dist. restrs. and SS energy: 8.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2394.640598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.640598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.912047 (E_RNA)
where:
Base-Base interactions energy: -1688.774
where: short stacking energy: -677.217
Base-Backbone interact. energy: -1.983
local terms energy: -714.154376
where:
bonds (distance) C4'-P energy: -102.736
bonds (distance) P-C4' energy: -118.133
flat angles C4'-P-C4' energy: -150.742
flat angles P-C4'-P energy: -108.273
tors. eta vs tors. theta energy: -234.271
Dist. restrs. and SS energy: 10.271 (S_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: 297
Temperature: 1.200000
Total energy: -2301.707769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.707769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.455431 (E_RNA)
where:
Base-Base interactions energy: -1653.192
where: short stacking energy: -673.620
Base-Backbone interact. energy: -1.590
local terms energy: -656.673783
where:
bonds (distance) C4'-P energy: -112.497
bonds (distance) P-C4' energy: -95.619
flat angles C4'-P-C4' energy: -147.057
flat angles P-C4'-P energy: -94.947
tors. eta vs tors. theta energy: -206.553
Dist. restrs. and SS energy: 9.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2279.827373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.827373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.625286 (E_RNA)
where:
Base-Base interactions energy: -1616.168
where: short stacking energy: -658.116
Base-Backbone interact. energy: -3.429
local terms energy: -672.029140
where:
bonds (distance) C4'-P energy: -113.216
bonds (distance) P-C4' energy: -116.609
flat angles C4'-P-C4' energy: -134.286
flat angles P-C4'-P energy: -98.548
tors. eta vs tors. theta energy: -209.370
Dist. restrs. and SS energy: 11.798 (S_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: 297
Temperature: 1.300000
Total energy: -2253.185299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.185299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.168785 (E_RNA)
where:
Base-Base interactions energy: -1605.188
where: short stacking energy: -639.918
Base-Backbone interact. energy: -2.576
local terms energy: -653.404569
where:
bonds (distance) C4'-P energy: -98.667
bonds (distance) P-C4' energy: -128.217
flat angles C4'-P-C4' energy: -137.209
flat angles P-C4'-P energy: -88.760
tors. eta vs tors. theta energy: -200.552
Dist. restrs. and SS energy: 7.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -2074.977375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.977375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.665642 (E_RNA)
where:
Base-Base interactions energy: -1512.051
where: short stacking energy: -604.823
Base-Backbone interact. energy: 6.019
local terms energy: -581.633360
where:
bonds (distance) C4'-P energy: -100.974
bonds (distance) P-C4' energy: -97.462
flat angles C4'-P-C4' energy: -111.392
flat angles P-C4'-P energy: -80.390
tors. eta vs tors. theta energy: -191.415
Dist. restrs. and SS energy: 12.688 (S_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: 298
Temperature: 0.900000
Total energy: -2810.950014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.950014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.747016 (E_RNA)
where:
Base-Base interactions energy: -1978.361
where: short stacking energy: -806.059
Base-Backbone interact. energy: -0.140
local terms energy: -840.246747
where:
bonds (distance) C4'-P energy: -149.445
bonds (distance) P-C4' energy: -147.881
flat angles C4'-P-C4' energy: -171.333
flat angles P-C4'-P energy: -122.699
tors. eta vs tors. theta energy: -248.889
Dist. restrs. and SS energy: 7.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2675.139290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.139290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.665600 (E_RNA)
where:
Base-Base interactions energy: -1904.389
where: short stacking energy: -787.314
Base-Backbone interact. energy: -2.281
local terms energy: -782.995157
where:
bonds (distance) C4'-P energy: -128.600
bonds (distance) P-C4' energy: -138.466
flat angles C4'-P-C4' energy: -155.314
flat angles P-C4'-P energy: -110.377
tors. eta vs tors. theta energy: -250.238
Dist. restrs. and SS energy: 14.526 (S_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: 298
Temperature: 1.000000
Total energy: -2599.063520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.063520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.660147 (E_RNA)
where:
Base-Base interactions energy: -1834.383
where: short stacking energy: -741.641
Base-Backbone interact. energy: -4.011
local terms energy: -774.266544
where:
bonds (distance) C4'-P energy: -142.899
bonds (distance) P-C4' energy: -129.537
flat angles C4'-P-C4' energy: -166.578
flat angles P-C4'-P energy: -106.479
tors. eta vs tors. theta energy: -228.773
Dist. restrs. and SS energy: 13.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2560.999581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.999581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.917533 (E_RNA)
where:
Base-Base interactions energy: -1835.822
where: short stacking energy: -745.319
Base-Backbone interact. energy: -1.851
local terms energy: -733.244695
where:
bonds (distance) C4'-P energy: -124.645
bonds (distance) P-C4' energy: -122.204
flat angles C4'-P-C4' energy: -163.760
flat angles P-C4'-P energy: -102.551
tors. eta vs tors. theta energy: -220.084
Dist. restrs. and SS energy: 9.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2491.834139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.834139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.420451 (E_RNA)
where:
Base-Base interactions energy: -1780.639
where: short stacking energy: -726.815
Base-Backbone interact. energy: -0.712
local terms energy: -721.068817
where:
bonds (distance) C4'-P energy: -119.138
bonds (distance) P-C4' energy: -133.329
flat angles C4'-P-C4' energy: -142.133
flat angles P-C4'-P energy: -97.616
tors. eta vs tors. theta energy: -228.851
Dist. restrs. and SS energy: 10.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2404.677598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.677598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.106101 (E_RNA)
where:
Base-Base interactions energy: -1723.551
where: short stacking energy: -707.020
Base-Backbone interact. energy: -2.321
local terms energy: -687.234254
where:
bonds (distance) C4'-P energy: -103.916
bonds (distance) P-C4' energy: -111.697
flat angles C4'-P-C4' energy: -153.574
flat angles P-C4'-P energy: -97.205
tors. eta vs tors. theta energy: -220.842
Dist. restrs. and SS energy: 8.429 (S_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: 298
Temperature: 1.200000
Total energy: -2367.841763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.841763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.227476 (E_RNA)
where:
Base-Base interactions energy: -1668.742
where: short stacking energy: -692.999
Base-Backbone interact. energy: -0.363
local terms energy: -709.123005
where:
bonds (distance) C4'-P energy: -111.125
bonds (distance) P-C4' energy: -113.138
flat angles C4'-P-C4' energy: -165.384
flat angles P-C4'-P energy: -108.506
tors. eta vs tors. theta energy: -210.970
Dist. restrs. and SS energy: 10.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2242.750466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.750466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.625263 (E_RNA)
where:
Base-Base interactions energy: -1602.398
where: short stacking energy: -665.524
Base-Backbone interact. energy: -2.892
local terms energy: -645.335171
where:
bonds (distance) C4'-P energy: -110.714
bonds (distance) P-C4' energy: -96.012
flat angles C4'-P-C4' energy: -143.937
flat angles P-C4'-P energy: -87.457
tors. eta vs tors. theta energy: -207.214
Dist. restrs. and SS energy: 7.875 (S_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: 298
Temperature: 1.300000
Total energy: -2227.299457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.299457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.256516 (E_RNA)
where:
Base-Base interactions energy: -1598.986
where: short stacking energy: -659.303
Base-Backbone interact. energy: 0.525
local terms energy: -635.796325
where:
bonds (distance) C4'-P energy: -96.032
bonds (distance) P-C4' energy: -108.956
flat angles C4'-P-C4' energy: -137.478
flat angles P-C4'-P energy: -88.707
tors. eta vs tors. theta energy: -204.624
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -2051.040965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.040965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.571511 (E_RNA)
where:
Base-Base interactions energy: -1497.455
where: short stacking energy: -606.585
Base-Backbone interact. energy: 0.508
local terms energy: -570.624190
where:
bonds (distance) C4'-P energy: -97.518
bonds (distance) P-C4' energy: -99.949
flat angles C4'-P-C4' energy: -121.463
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -180.188
Dist. restrs. and SS energy: 16.531 (S_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: 299
Temperature: 0.900000
Total energy: -2781.534247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.534247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.189704 (E_RNA)
where:
Base-Base interactions energy: -1960.895
where: short stacking energy: -797.967
Base-Backbone interact. energy: -1.842
local terms energy: -825.453073
where:
bonds (distance) C4'-P energy: -142.614
bonds (distance) P-C4' energy: -143.451
flat angles C4'-P-C4' energy: -166.407
flat angles P-C4'-P energy: -124.190
tors. eta vs tors. theta energy: -248.791
Dist. restrs. and SS energy: 6.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2660.381047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.381047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.530017 (E_RNA)
where:
Base-Base interactions energy: -1901.107
where: short stacking energy: -773.864
Base-Backbone interact. energy: 1.640
local terms energy: -775.063064
where:
bonds (distance) C4'-P energy: -135.506
bonds (distance) P-C4' energy: -133.639
flat angles C4'-P-C4' energy: -170.521
flat angles P-C4'-P energy: -103.622
tors. eta vs tors. theta energy: -231.775
Dist. restrs. and SS energy: 14.149 (S_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: 299
Temperature: 1.000000
Total energy: -2613.406608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.406608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.708729 (E_RNA)
where:
Base-Base interactions energy: -1861.451
where: short stacking energy: -770.445
Base-Backbone interact. energy: -2.114
local terms energy: -763.144457
where:
bonds (distance) C4'-P energy: -127.342
bonds (distance) P-C4' energy: -130.855
flat angles C4'-P-C4' energy: -162.385
flat angles P-C4'-P energy: -114.469
tors. eta vs tors. theta energy: -228.093
Dist. restrs. and SS energy: 13.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2535.833972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.833972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.903594 (E_RNA)
where:
Base-Base interactions energy: -1805.249
where: short stacking energy: -727.809
Base-Backbone interact. energy: 0.245
local terms energy: -738.900209
where:
bonds (distance) C4'-P energy: -132.961
bonds (distance) P-C4' energy: -116.776
flat angles C4'-P-C4' energy: -159.534
flat angles P-C4'-P energy: -105.298
tors. eta vs tors. theta energy: -224.331
Dist. restrs. and SS energy: 8.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2477.436154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.436154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.173985 (E_RNA)
where:
Base-Base interactions energy: -1762.660
where: short stacking energy: -706.894
Base-Backbone interact. energy: -2.456
local terms energy: -723.058166
where:
bonds (distance) C4'-P energy: -128.164
bonds (distance) P-C4' energy: -117.244
flat angles C4'-P-C4' energy: -154.116
flat angles P-C4'-P energy: -102.312
tors. eta vs tors. theta energy: -221.223
Dist. restrs. and SS energy: 10.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2414.112780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.112780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.128888 (E_RNA)
where:
Base-Base interactions energy: -1715.653
where: short stacking energy: -709.582
Base-Backbone interact. energy: -1.591
local terms energy: -707.884699
where:
bonds (distance) C4'-P energy: -126.207
bonds (distance) P-C4' energy: -118.992
flat angles C4'-P-C4' energy: -144.954
flat angles P-C4'-P energy: -93.942
tors. eta vs tors. theta energy: -223.789
Dist. restrs. and SS energy: 11.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2343.951939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.951939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.600688 (E_RNA)
where:
Base-Base interactions energy: -1673.185
where: short stacking energy: -695.961
Base-Backbone interact. energy: 0.574
local terms energy: -680.989360
where:
bonds (distance) C4'-P energy: -99.368
bonds (distance) P-C4' energy: -110.308
flat angles C4'-P-C4' energy: -153.648
flat angles P-C4'-P energy: -107.826
tors. eta vs tors. theta energy: -209.839
Dist. restrs. and SS energy: 9.649 (S_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: 299
Temperature: 1.250000
Total energy: -2282.686212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.686212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.545437 (E_RNA)
where:
Base-Base interactions energy: -1621.291
where: short stacking energy: -664.540
Base-Backbone interact. energy: -0.138
local terms energy: -671.116012
where:
bonds (distance) C4'-P energy: -122.559
bonds (distance) P-C4' energy: -96.401
flat angles C4'-P-C4' energy: -146.905
flat angles P-C4'-P energy: -91.892
tors. eta vs tors. theta energy: -213.359
Dist. restrs. and SS energy: 9.859 (S_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: 299
Temperature: 1.300000
Total energy: -2198.080791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.080791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.666458 (E_RNA)
where:
Base-Base interactions energy: -1589.118
where: short stacking energy: -637.311
Base-Backbone interact. energy: 0.630
local terms energy: -619.178871
where:
bonds (distance) C4'-P energy: -101.124
bonds (distance) P-C4' energy: -100.460
flat angles C4'-P-C4' energy: -128.986
flat angles P-C4'-P energy: -90.089
tors. eta vs tors. theta energy: -198.520
Dist. restrs. and SS energy: 9.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -2071.501876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.501876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.431645 (E_RNA)
where:
Base-Base interactions energy: -1463.726
where: short stacking energy: -570.116
Base-Backbone interact. energy: -1.217
local terms energy: -620.488316
where:
bonds (distance) C4'-P energy: -104.294
bonds (distance) P-C4' energy: -110.885
flat angles C4'-P-C4' energy: -142.407
flat angles P-C4'-P energy: -86.325
tors. eta vs tors. theta energy: -176.577
Dist. restrs. and SS energy: 13.930 (S_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: 300
Temperature: 0.900000
Total energy: -2769.551634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.551634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.400952 (E_RNA)
where:
Base-Base interactions energy: -1968.372
where: short stacking energy: -808.277
Base-Backbone interact. energy: -1.712
local terms energy: -808.317233
where:
bonds (distance) C4'-P energy: -138.207
bonds (distance) P-C4' energy: -139.294
flat angles C4'-P-C4' energy: -159.380
flat angles P-C4'-P energy: -115.356
tors. eta vs tors. theta energy: -256.081
Dist. restrs. and SS energy: 8.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2686.443925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.443925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.139820 (E_RNA)
where:
Base-Base interactions energy: -1909.302
where: short stacking energy: -795.876
Base-Backbone interact. energy: -2.146
local terms energy: -789.691508
where:
bonds (distance) C4'-P energy: -130.841
bonds (distance) P-C4' energy: -129.396
flat angles C4'-P-C4' energy: -159.811
flat angles P-C4'-P energy: -118.141
tors. eta vs tors. theta energy: -251.502
Dist. restrs. and SS energy: 14.696 (S_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: 300
Temperature: 1.000000
Total energy: -2633.317389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.317389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.191396 (E_RNA)
where:
Base-Base interactions energy: -1846.401
where: short stacking energy: -753.725
Base-Backbone interact. energy: -1.240
local terms energy: -793.550619
where:
bonds (distance) C4'-P energy: -148.844
bonds (distance) P-C4' energy: -133.904
flat angles C4'-P-C4' energy: -169.366
flat angles P-C4'-P energy: -102.906
tors. eta vs tors. theta energy: -238.530
Dist. restrs. and SS energy: 7.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2552.349539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.349539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.176350 (E_RNA)
where:
Base-Base interactions energy: -1800.473
where: short stacking energy: -745.328
Base-Backbone interact. energy: -2.525
local terms energy: -758.178163
where:
bonds (distance) C4'-P energy: -127.951
bonds (distance) P-C4' energy: -148.867
flat angles C4'-P-C4' energy: -146.059
flat angles P-C4'-P energy: -108.859
tors. eta vs tors. theta energy: -226.441
Dist. restrs. and SS energy: 8.827 (S_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: 300
Temperature: 1.100000
Total energy: -2476.720323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.720323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.156313 (E_RNA)
where:
Base-Base interactions energy: -1776.333
where: short stacking energy: -721.980
Base-Backbone interact. energy: -1.820
local terms energy: -706.003581
where:
bonds (distance) C4'-P energy: -127.615
bonds (distance) P-C4' energy: -107.277
flat angles C4'-P-C4' energy: -144.725
flat angles P-C4'-P energy: -104.710
tors. eta vs tors. theta energy: -221.677
Dist. restrs. and SS energy: 7.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2456.962266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.962266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.049569 (E_RNA)
where:
Base-Base interactions energy: -1749.139
where: short stacking energy: -703.982
Base-Backbone interact. energy: -0.437
local terms energy: -710.474198
where:
bonds (distance) C4'-P energy: -128.238
bonds (distance) P-C4' energy: -111.138
flat angles C4'-P-C4' energy: -149.785
flat angles P-C4'-P energy: -110.209
tors. eta vs tors. theta energy: -211.105
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2363.358530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.358530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.663661 (E_RNA)
where:
Base-Base interactions energy: -1661.213
where: short stacking energy: -664.593
Base-Backbone interact. energy: 1.243
local terms energy: -717.693481
where:
bonds (distance) C4'-P energy: -105.791
bonds (distance) P-C4' energy: -137.651
flat angles C4'-P-C4' energy: -155.635
flat angles P-C4'-P energy: -103.860
tors. eta vs tors. theta energy: -214.757
Dist. restrs. and SS energy: 14.305 (S_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: 300
Temperature: 1.250000
Total energy: -2296.124975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.124975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.481368 (E_RNA)
where:
Base-Base interactions energy: -1641.578
where: short stacking energy: -658.911
Base-Backbone interact. energy: 0.402
local terms energy: -663.305148
where:
bonds (distance) C4'-P energy: -112.453
bonds (distance) P-C4' energy: -134.993
flat angles C4'-P-C4' energy: -135.538
flat angles P-C4'-P energy: -74.267
tors. eta vs tors. theta energy: -206.054
Dist. restrs. and SS energy: 8.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -2201.478518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.478518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.392963 (E_RNA)
where:
Base-Base interactions energy: -1583.010
where: short stacking energy: -611.251
Base-Backbone interact. energy: 2.130
local terms energy: -625.512207
where:
bonds (distance) C4'-P energy: -125.824
bonds (distance) P-C4' energy: -103.948
flat angles C4'-P-C4' energy: -109.492
flat angles P-C4'-P energy: -105.823
tors. eta vs tors. theta energy: -180.425
Dist. restrs. and SS energy: 4.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -2061.218942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.218942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.516074 (E_RNA)
where:
Base-Base interactions energy: -1476.680
where: short stacking energy: -597.766
Base-Backbone interact. energy: -0.045
local terms energy: -601.791660
where:
bonds (distance) C4'-P energy: -93.115
bonds (distance) P-C4' energy: -115.508
flat angles C4'-P-C4' energy: -127.048
flat angles P-C4'-P energy: -80.466
tors. eta vs tors. theta energy: -185.654
Dist. restrs. and SS energy: 17.297 (S_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: 301
Temperature: 0.900000
Total energy: -2765.384870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.384870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.370388 (E_RNA)
where:
Base-Base interactions energy: -1954.957
where: short stacking energy: -810.220
Base-Backbone interact. energy: 0.368
local terms energy: -817.781077
where:
bonds (distance) C4'-P energy: -144.278
bonds (distance) P-C4' energy: -154.864
flat angles C4'-P-C4' energy: -159.618
flat angles P-C4'-P energy: -119.500
tors. eta vs tors. theta energy: -239.521
Dist. restrs. and SS energy: 6.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2712.564008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.564008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.187468 (E_RNA)
where:
Base-Base interactions energy: -1916.421
where: short stacking energy: -806.526
Base-Backbone interact. energy: 4.944
local terms energy: -814.710305
where:
bonds (distance) C4'-P energy: -143.038
bonds (distance) P-C4' energy: -130.289
flat angles C4'-P-C4' energy: -174.791
flat angles P-C4'-P energy: -115.084
tors. eta vs tors. theta energy: -251.508
Dist. restrs. and SS energy: 13.623 (S_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: 301
Temperature: 1.000000
Total energy: -2614.502982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.502982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.510806 (E_RNA)
where:
Base-Base interactions energy: -1856.286
where: short stacking energy: -751.412
Base-Backbone interact. energy: -1.836
local terms energy: -769.389059
where:
bonds (distance) C4'-P energy: -132.420
bonds (distance) P-C4' energy: -126.271
flat angles C4'-P-C4' energy: -165.808
flat angles P-C4'-P energy: -110.997
tors. eta vs tors. theta energy: -233.893
Dist. restrs. and SS energy: 13.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2533.572665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.572665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.247366 (E_RNA)
where:
Base-Base interactions energy: -1779.860
where: short stacking energy: -727.316
Base-Backbone interact. energy: -3.081
local terms energy: -755.306378
where:
bonds (distance) C4'-P energy: -129.705
bonds (distance) P-C4' energy: -137.682
flat angles C4'-P-C4' energy: -153.063
flat angles P-C4'-P energy: -108.631
tors. eta vs tors. theta energy: -226.226
Dist. restrs. and SS energy: 4.675 (S_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: 301
Temperature: 1.100000
Total energy: -2527.588405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.588405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.334569 (E_RNA)
where:
Base-Base interactions energy: -1808.549
where: short stacking energy: -724.157
Base-Backbone interact. energy: 3.937
local terms energy: -732.722567
where:
bonds (distance) C4'-P energy: -120.246
bonds (distance) P-C4' energy: -117.336
flat angles C4'-P-C4' energy: -151.699
flat angles P-C4'-P energy: -114.677
tors. eta vs tors. theta energy: -228.764
Dist. restrs. and SS energy: 9.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2445.857473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.857473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.726480 (E_RNA)
where:
Base-Base interactions energy: -1756.537
where: short stacking energy: -689.562
Base-Backbone interact. energy: 2.221
local terms energy: -695.411049
where:
bonds (distance) C4'-P energy: -105.525
bonds (distance) P-C4' energy: -114.894
flat angles C4'-P-C4' energy: -140.834
flat angles P-C4'-P energy: -108.677
tors. eta vs tors. theta energy: -225.481
Dist. restrs. and SS energy: 3.869 (S_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: 301
Temperature: 1.200000
Total energy: -2325.650452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.650452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.084539 (E_RNA)
where:
Base-Base interactions energy: -1670.408
where: short stacking energy: -669.693
Base-Backbone interact. energy: 6.924
local terms energy: -670.600295
where:
bonds (distance) C4'-P energy: -115.744
bonds (distance) P-C4' energy: -108.283
flat angles C4'-P-C4' energy: -151.487
flat angles P-C4'-P energy: -88.115
tors. eta vs tors. theta energy: -206.971
Dist. restrs. and SS energy: 8.434 (S_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: 301
Temperature: 1.250000
Total energy: -2289.424614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.424614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.821471 (E_RNA)
where:
Base-Base interactions energy: -1639.266
where: short stacking energy: -641.570
Base-Backbone interact. energy: -2.876
local terms energy: -658.679188
where:
bonds (distance) C4'-P energy: -116.237
bonds (distance) P-C4' energy: -108.500
flat angles C4'-P-C4' energy: -151.623
flat angles P-C4'-P energy: -82.184
tors. eta vs tors. theta energy: -200.135
Dist. restrs. and SS energy: 11.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -2231.201154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.201154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.087592 (E_RNA)
where:
Base-Base interactions energy: -1610.126
where: short stacking energy: -632.905
Base-Backbone interact. energy: 2.051
local terms energy: -628.013061
where:
bonds (distance) C4'-P energy: -118.649
bonds (distance) P-C4' energy: -94.433
flat angles C4'-P-C4' energy: -135.988
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -191.469
Dist. restrs. and SS energy: 4.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -2142.494772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.494772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.025780 (E_RNA)
where:
Base-Base interactions energy: -1540.886
where: short stacking energy: -625.919
Base-Backbone interact. energy: -0.450
local terms energy: -618.689382
where:
bonds (distance) C4'-P energy: -115.929
bonds (distance) P-C4' energy: -109.618
flat angles C4'-P-C4' energy: -118.387
flat angles P-C4'-P energy: -79.710
tors. eta vs tors. theta energy: -195.046
Dist. restrs. and SS energy: 17.531 (S_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: 302
Temperature: 0.900000
Total energy: -2799.426494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.426494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.492030 (E_RNA)
where:
Base-Base interactions energy: -2017.950
where: short stacking energy: -838.405
Base-Backbone interact. energy: 0.798
local terms energy: -788.340486
where:
bonds (distance) C4'-P energy: -116.570
bonds (distance) P-C4' energy: -134.056
flat angles C4'-P-C4' energy: -172.740
flat angles P-C4'-P energy: -107.503
tors. eta vs tors. theta energy: -257.471
Dist. restrs. and SS energy: 6.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2702.073367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.073367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.910211 (E_RNA)
where:
Base-Base interactions energy: -1921.262
where: short stacking energy: -795.830
Base-Backbone interact. energy: -0.915
local terms energy: -793.732448
where:
bonds (distance) C4'-P energy: -142.515
bonds (distance) P-C4' energy: -129.271
flat angles C4'-P-C4' energy: -163.820
flat angles P-C4'-P energy: -115.303
tors. eta vs tors. theta energy: -242.824
Dist. restrs. and SS energy: 13.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2600.692064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.692064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.132897 (E_RNA)
where:
Base-Base interactions energy: -1861.480
where: short stacking energy: -758.012
Base-Backbone interact. energy: -4.201
local terms energy: -743.452263
where:
bonds (distance) C4'-P energy: -118.019
bonds (distance) P-C4' energy: -135.809
flat angles C4'-P-C4' energy: -152.599
flat angles P-C4'-P energy: -100.459
tors. eta vs tors. theta energy: -236.565
Dist. restrs. and SS energy: 8.441 (S_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: -2552.564261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.564261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.188256 (E_RNA)
where:
Base-Base interactions energy: -1800.966
where: short stacking energy: -747.482
Base-Backbone interact. energy: -2.311
local terms energy: -752.911728
where:
bonds (distance) C4'-P energy: -126.724
bonds (distance) P-C4' energy: -126.319
flat angles C4'-P-C4' energy: -162.817
flat angles P-C4'-P energy: -107.211
tors. eta vs tors. theta energy: -229.841
Dist. restrs. and SS energy: 3.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2521.435214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.435214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.166235 (E_RNA)
where:
Base-Base interactions energy: -1772.842
where: short stacking energy: -718.408
Base-Backbone interact. energy: -1.496
local terms energy: -756.828265
where:
bonds (distance) C4'-P energy: -130.206
bonds (distance) P-C4' energy: -134.262
flat angles C4'-P-C4' energy: -165.119
flat angles P-C4'-P energy: -91.527
tors. eta vs tors. theta energy: -235.714
Dist. restrs. and SS energy: 9.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2431.222447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.222447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.142336 (E_RNA)
where:
Base-Base interactions energy: -1725.594
where: short stacking energy: -701.870
Base-Backbone interact. energy: -1.652
local terms energy: -708.896905
where:
bonds (distance) C4'-P energy: -119.560
bonds (distance) P-C4' energy: -127.370
flat angles C4'-P-C4' energy: -145.291
flat angles P-C4'-P energy: -94.047
tors. eta vs tors. theta energy: -222.628
Dist. restrs. and SS energy: 4.920 (S_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: 302
Temperature: 1.200000
Total energy: -2346.038596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.038596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.476250 (E_RNA)
where:
Base-Base interactions energy: -1637.574
where: short stacking energy: -666.292
Base-Backbone interact. energy: -2.340
local terms energy: -712.562486
where:
bonds (distance) C4'-P energy: -124.822
bonds (distance) P-C4' energy: -118.164
flat angles C4'-P-C4' energy: -145.277
flat angles P-C4'-P energy: -108.501
tors. eta vs tors. theta energy: -215.799
Dist. restrs. and SS energy: 6.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2276.534263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.534263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.988429 (E_RNA)
where:
Base-Base interactions energy: -1641.510
where: short stacking energy: -660.801
Base-Backbone interact. energy: 6.228
local terms energy: -653.705912
where:
bonds (distance) C4'-P energy: -133.377
bonds (distance) P-C4' energy: -102.817
flat angles C4'-P-C4' energy: -131.043
flat angles P-C4'-P energy: -83.386
tors. eta vs tors. theta energy: -203.083
Dist. restrs. and SS energy: 12.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -2157.799660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.799660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.168366 (E_RNA)
where:
Base-Base interactions energy: -1559.105
where: short stacking energy: -619.449
Base-Backbone interact. energy: 10.428
local terms energy: -618.491551
where:
bonds (distance) C4'-P energy: -115.474
bonds (distance) P-C4' energy: -110.805
flat angles C4'-P-C4' energy: -133.632
flat angles P-C4'-P energy: -67.018
tors. eta vs tors. theta energy: -191.563
Dist. restrs. and SS energy: 9.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -2118.545341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.545341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.662862 (E_RNA)
where:
Base-Base interactions energy: -1510.246
where: short stacking energy: -600.166
Base-Backbone interact. energy: 1.152
local terms energy: -628.569078
where:
bonds (distance) C4'-P energy: -106.586
bonds (distance) P-C4' energy: -105.288
flat angles C4'-P-C4' energy: -133.894
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -200.381
Dist. restrs. and SS energy: 19.118 (S_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: 303
Temperature: 0.900000
Total energy: -2802.594512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.594512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.166970 (E_RNA)
where:
Base-Base interactions energy: -1989.339
where: short stacking energy: -835.500
Base-Backbone interact. energy: -1.880
local terms energy: -816.947261
where:
bonds (distance) C4'-P energy: -133.334
bonds (distance) P-C4' energy: -128.551
flat angles C4'-P-C4' energy: -172.951
flat angles P-C4'-P energy: -125.591
tors. eta vs tors. theta energy: -256.519
Dist. restrs. and SS energy: 5.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2694.130088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.130088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.178666 (E_RNA)
where:
Base-Base interactions energy: -1901.755
where: short stacking energy: -771.846
Base-Backbone interact. energy: -1.977
local terms energy: -803.446112
where:
bonds (distance) C4'-P energy: -154.621
bonds (distance) P-C4' energy: -133.102
flat angles C4'-P-C4' energy: -162.974
flat angles P-C4'-P energy: -106.108
tors. eta vs tors. theta energy: -246.641
Dist. restrs. and SS energy: 13.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2590.276037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.276037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.899697 (E_RNA)
where:
Base-Base interactions energy: -1831.963
where: short stacking energy: -737.423
Base-Backbone interact. energy: -1.944
local terms energy: -767.993107
where:
bonds (distance) C4'-P energy: -140.231
bonds (distance) P-C4' energy: -131.847
flat angles C4'-P-C4' energy: -167.291
flat angles P-C4'-P energy: -108.201
tors. eta vs tors. theta energy: -220.424
Dist. restrs. and SS energy: 11.624 (S_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: 303
Temperature: 1.050000
Total energy: -2546.852620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.852620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.798615 (E_RNA)
where:
Base-Base interactions energy: -1800.166
where: short stacking energy: -749.042
Base-Backbone interact. energy: -1.930
local terms energy: -748.702065
where:
bonds (distance) C4'-P energy: -128.262
bonds (distance) P-C4' energy: -124.667
flat angles C4'-P-C4' energy: -158.298
flat angles P-C4'-P energy: -111.708
tors. eta vs tors. theta energy: -225.767
Dist. restrs. and SS energy: 3.946 (S_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: 303
Temperature: 1.100000
Total energy: -2514.313968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.313968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.404088 (E_RNA)
where:
Base-Base interactions energy: -1760.706
where: short stacking energy: -710.325
Base-Backbone interact. energy: -4.244
local terms energy: -760.454328
where:
bonds (distance) C4'-P energy: -124.570
bonds (distance) P-C4' energy: -139.485
flat angles C4'-P-C4' energy: -167.256
flat angles P-C4'-P energy: -102.895
tors. eta vs tors. theta energy: -226.248
Dist. restrs. and SS energy: 11.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2386.757663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.757663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.679382 (E_RNA)
where:
Base-Base interactions energy: -1688.912
where: short stacking energy: -657.170
Base-Backbone interact. energy: -1.238
local terms energy: -701.529559
where:
bonds (distance) C4'-P energy: -121.016
bonds (distance) P-C4' energy: -139.052
flat angles C4'-P-C4' energy: -150.118
flat angles P-C4'-P energy: -91.485
tors. eta vs tors. theta energy: -199.859
Dist. restrs. and SS energy: 4.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2334.703487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.703487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.791440 (E_RNA)
where:
Base-Base interactions energy: -1657.426
where: short stacking energy: -669.902
Base-Backbone interact. energy: -3.873
local terms energy: -682.492118
where:
bonds (distance) C4'-P energy: -120.884
bonds (distance) P-C4' energy: -114.850
flat angles C4'-P-C4' energy: -142.013
flat angles P-C4'-P energy: -95.783
tors. eta vs tors. theta energy: -208.962
Dist. restrs. and SS energy: 9.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2216.959139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.959139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.510059 (E_RNA)
where:
Base-Base interactions energy: -1606.247
where: short stacking energy: -648.992
Base-Backbone interact. energy: -2.554
local terms energy: -618.709201
where:
bonds (distance) C4'-P energy: -102.077
bonds (distance) P-C4' energy: -111.254
flat angles C4'-P-C4' energy: -129.775
flat angles P-C4'-P energy: -78.831
tors. eta vs tors. theta energy: -196.772
Dist. restrs. and SS energy: 10.551 (S_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: 303
Temperature: 1.300000
Total energy: -2191.515553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.515553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.804475 (E_RNA)
where:
Base-Base interactions energy: -1590.268
where: short stacking energy: -638.021
Base-Backbone interact. energy: -0.924
local terms energy: -607.612891
where:
bonds (distance) C4'-P energy: -94.126
bonds (distance) P-C4' energy: -102.693
flat angles C4'-P-C4' energy: -128.172
flat angles P-C4'-P energy: -84.471
tors. eta vs tors. theta energy: -198.151
Dist. restrs. and SS energy: 7.289 (S_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: 303
Temperature: 1.350000
Total energy: -2056.493666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.493666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.559746 (E_RNA)
where:
Base-Base interactions energy: -1489.281
where: short stacking energy: -575.325
Base-Backbone interact. energy: 1.099
local terms energy: -581.377718
where:
bonds (distance) C4'-P energy: -100.049
bonds (distance) P-C4' energy: -98.375
flat angles C4'-P-C4' energy: -120.207
flat angles P-C4'-P energy: -81.245
tors. eta vs tors. theta energy: -181.502
Dist. restrs. and SS energy: 13.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2777.805534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.805534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.595061 (E_RNA)
where:
Base-Base interactions energy: -1979.580
where: short stacking energy: -817.212
Base-Backbone interact. energy: -2.939
local terms energy: -801.075308
where:
bonds (distance) C4'-P energy: -147.098
bonds (distance) P-C4' energy: -128.724
flat angles C4'-P-C4' energy: -162.881
flat angles P-C4'-P energy: -105.290
tors. eta vs tors. theta energy: -257.083
Dist. restrs. and SS energy: 5.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2692.412591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.412591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.468507 (E_RNA)
where:
Base-Base interactions energy: -1918.351
where: short stacking energy: -794.156
Base-Backbone interact. energy: -2.548
local terms energy: -784.569901
where:
bonds (distance) C4'-P energy: -138.238
bonds (distance) P-C4' energy: -127.058
flat angles C4'-P-C4' energy: -162.473
flat angles P-C4'-P energy: -108.124
tors. eta vs tors. theta energy: -248.677
Dist. restrs. and SS energy: 13.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2613.541885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.541885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.274218 (E_RNA)
where:
Base-Base interactions energy: -1869.190
where: short stacking energy: -756.762
Base-Backbone interact. energy: -3.707
local terms energy: -748.376323
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -134.898
flat angles C4'-P-C4' energy: -160.607
flat angles P-C4'-P energy: -103.698
tors. eta vs tors. theta energy: -225.795
Dist. restrs. and SS energy: 7.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2522.080452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.080452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.705025 (E_RNA)
where:
Base-Base interactions energy: -1752.085
where: short stacking energy: -727.768
Base-Backbone interact. energy: -1.555
local terms energy: -771.065300
where:
bonds (distance) C4'-P energy: -122.033
bonds (distance) P-C4' energy: -148.724
flat angles C4'-P-C4' energy: -152.436
flat angles P-C4'-P energy: -110.413
tors. eta vs tors. theta energy: -237.459
Dist. restrs. and SS energy: 2.625 (S_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: 304
Temperature: 1.100000
Total energy: -2465.181335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.181335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.557544 (E_RNA)
where:
Base-Base interactions energy: -1768.200
where: short stacking energy: -695.974
Base-Backbone interact. energy: 1.347
local terms energy: -710.704684
where:
bonds (distance) C4'-P energy: -116.999
bonds (distance) P-C4' energy: -120.620
flat angles C4'-P-C4' energy: -157.567
flat angles P-C4'-P energy: -95.268
tors. eta vs tors. theta energy: -220.251
Dist. restrs. and SS energy: 12.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2411.803472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.803472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.469775 (E_RNA)
where:
Base-Base interactions energy: -1692.756
where: short stacking energy: -692.038
Base-Backbone interact. energy: -0.300
local terms energy: -722.413449
where:
bonds (distance) C4'-P energy: -124.202
bonds (distance) P-C4' energy: -134.205
flat angles C4'-P-C4' energy: -151.493
flat angles P-C4'-P energy: -98.572
tors. eta vs tors. theta energy: -213.941
Dist. restrs. and SS energy: 3.666 (S_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: 304
Temperature: 1.200000
Total energy: -2249.735488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.735488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.811090 (E_RNA)
where:
Base-Base interactions energy: -1613.849
where: short stacking energy: -651.176
Base-Backbone interact. energy: 2.097
local terms energy: -650.059569
where:
bonds (distance) C4'-P energy: -113.218
bonds (distance) P-C4' energy: -105.026
flat angles C4'-P-C4' energy: -134.527
flat angles P-C4'-P energy: -94.440
tors. eta vs tors. theta energy: -202.849
Dist. restrs. and SS energy: 12.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2277.612425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.612425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.679281 (E_RNA)
where:
Base-Base interactions energy: -1626.711
where: short stacking energy: -647.601
Base-Backbone interact. energy: -1.457
local terms energy: -657.511706
where:
bonds (distance) C4'-P energy: -112.854
bonds (distance) P-C4' energy: -118.773
flat angles C4'-P-C4' energy: -140.793
flat angles P-C4'-P energy: -86.972
tors. eta vs tors. theta energy: -198.121
Dist. restrs. and SS energy: 8.067 (S_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: 304
Temperature: 1.300000
Total energy: -2170.951992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.951992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.040876 (E_RNA)
where:
Base-Base interactions energy: -1562.689
where: short stacking energy: -605.601
Base-Backbone interact. energy: -0.026
local terms energy: -615.326124
where:
bonds (distance) C4'-P energy: -96.123
bonds (distance) P-C4' energy: -121.871
flat angles C4'-P-C4' energy: -127.347
flat angles P-C4'-P energy: -73.241
tors. eta vs tors. theta energy: -196.744
Dist. restrs. and SS energy: 7.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -2117.823936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.823936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.303805 (E_RNA)
where:
Base-Base interactions energy: -1498.151
where: short stacking energy: -599.624
Base-Backbone interact. energy: 2.125
local terms energy: -629.278389
where:
bonds (distance) C4'-P energy: -119.323
bonds (distance) P-C4' energy: -120.432
flat angles C4'-P-C4' energy: -125.146
flat angles P-C4'-P energy: -78.354
tors. eta vs tors. theta energy: -186.024
Dist. restrs. and SS energy: 7.480 (S_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: -2791.907179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.907179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.700106 (E_RNA)
where:
Base-Base interactions energy: -1976.067
where: short stacking energy: -814.829
Base-Backbone interact. energy: -4.408
local terms energy: -817.225063
where:
bonds (distance) C4'-P energy: -121.156
bonds (distance) P-C4' energy: -147.769
flat angles C4'-P-C4' energy: -168.205
flat angles P-C4'-P energy: -132.336
tors. eta vs tors. theta energy: -247.759
Dist. restrs. and SS energy: 5.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2703.864076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.864076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.807742 (E_RNA)
where:
Base-Base interactions energy: -1903.730
where: short stacking energy: -787.613
Base-Backbone interact. energy: -2.921
local terms energy: -809.157027
where:
bonds (distance) C4'-P energy: -140.445
bonds (distance) P-C4' energy: -131.622
flat angles C4'-P-C4' energy: -169.673
flat angles P-C4'-P energy: -116.214
tors. eta vs tors. theta energy: -251.203
Dist. restrs. and SS energy: 11.944 (S_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: -2583.275906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.275906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.772009 (E_RNA)
where:
Base-Base interactions energy: -1846.003
where: short stacking energy: -758.080
Base-Backbone interact. energy: -2.505
local terms energy: -745.264516
where:
bonds (distance) C4'-P energy: -124.323
bonds (distance) P-C4' energy: -137.274
flat angles C4'-P-C4' energy: -158.919
flat angles P-C4'-P energy: -106.343
tors. eta vs tors. theta energy: -218.406
Dist. restrs. and SS energy: 10.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2595.964059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.964059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.149208 (E_RNA)
where:
Base-Base interactions energy: -1842.784
where: short stacking energy: -757.404
Base-Backbone interact. energy: 3.435
local terms energy: -760.800594
where:
bonds (distance) C4'-P energy: -135.167
bonds (distance) P-C4' energy: -135.397
flat angles C4'-P-C4' energy: -165.653
flat angles P-C4'-P energy: -99.229
tors. eta vs tors. theta energy: -225.355
Dist. restrs. and SS energy: 4.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2476.336403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.336403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.047393 (E_RNA)
where:
Base-Base interactions energy: -1777.532
where: short stacking energy: -715.329
Base-Backbone interact. energy: -2.041
local terms energy: -706.474591
where:
bonds (distance) C4'-P energy: -124.477
bonds (distance) P-C4' energy: -119.539
flat angles C4'-P-C4' energy: -154.257
flat angles P-C4'-P energy: -91.768
tors. eta vs tors. theta energy: -216.433
Dist. restrs. and SS energy: 9.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2448.077232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.077232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.995617 (E_RNA)
where:
Base-Base interactions energy: -1738.016
where: short stacking energy: -690.416
Base-Backbone interact. energy: -3.271
local terms energy: -708.708150
where:
bonds (distance) C4'-P energy: -116.415
bonds (distance) P-C4' energy: -132.413
flat angles C4'-P-C4' energy: -144.294
flat angles P-C4'-P energy: -101.846
tors. eta vs tors. theta energy: -213.741
Dist. restrs. and SS energy: 1.918 (S_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: 305
Temperature: 1.200000
Total energy: -2326.066802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.066802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.040000 (E_RNA)
where:
Base-Base interactions energy: -1666.398
where: short stacking energy: -672.188
Base-Backbone interact. energy: -4.362
local terms energy: -671.279901
where:
bonds (distance) C4'-P energy: -111.721
bonds (distance) P-C4' energy: -110.032
flat angles C4'-P-C4' energy: -136.846
flat angles P-C4'-P energy: -109.092
tors. eta vs tors. theta energy: -203.588
Dist. restrs. and SS energy: 15.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2247.162201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.162201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.746659 (E_RNA)
where:
Base-Base interactions energy: -1594.560
where: short stacking energy: -637.885
Base-Backbone interact. energy: 2.226
local terms energy: -662.412528
where:
bonds (distance) C4'-P energy: -114.179
bonds (distance) P-C4' energy: -122.144
flat angles C4'-P-C4' energy: -134.181
flat angles P-C4'-P energy: -99.529
tors. eta vs tors. theta energy: -192.379
Dist. restrs. and SS energy: 7.584 (S_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: 305
Temperature: 1.300000
Total energy: -2110.215431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.215431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.638269 (E_RNA)
where:
Base-Base interactions energy: -1537.995
where: short stacking energy: -597.170
Base-Backbone interact. energy: 3.296
local terms energy: -582.939588
where:
bonds (distance) C4'-P energy: -98.574
bonds (distance) P-C4' energy: -94.136
flat angles C4'-P-C4' energy: -128.931
flat angles P-C4'-P energy: -86.750
tors. eta vs tors. theta energy: -174.548
Dist. restrs. and SS energy: 7.423 (S_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: 305
Temperature: 1.350000
Total energy: -2087.114903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.114903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.002598 (E_RNA)
where:
Base-Base interactions energy: -1477.524
where: short stacking energy: -588.095
Base-Backbone interact. energy: -0.550
local terms energy: -624.928895
where:
bonds (distance) C4'-P energy: -125.326
bonds (distance) P-C4' energy: -115.513
flat angles C4'-P-C4' energy: -136.633
flat angles P-C4'-P energy: -65.666
tors. eta vs tors. theta energy: -181.790
Dist. restrs. and SS energy: 15.888 (S_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: 306
Temperature: 0.900000
Total energy: -2798.991582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.991582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.729439 (E_RNA)
where:
Base-Base interactions energy: -2004.753
where: short stacking energy: -811.155
Base-Backbone interact. energy: -4.048
local terms energy: -796.928325
where:
bonds (distance) C4'-P energy: -122.961
bonds (distance) P-C4' energy: -124.914
flat angles C4'-P-C4' energy: -180.944
flat angles P-C4'-P energy: -119.665
tors. eta vs tors. theta energy: -248.445
Dist. restrs. and SS energy: 6.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2689.730400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.730400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.301405 (E_RNA)
where:
Base-Base interactions energy: -1913.895
where: short stacking energy: -791.259
Base-Backbone interact. energy: -3.215
local terms energy: -786.190866
where:
bonds (distance) C4'-P energy: -127.116
bonds (distance) P-C4' energy: -132.087
flat angles C4'-P-C4' energy: -166.559
flat angles P-C4'-P energy: -120.431
tors. eta vs tors. theta energy: -239.997
Dist. restrs. and SS energy: 13.571 (S_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: -2625.862481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.862481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.313469 (E_RNA)
where:
Base-Base interactions energy: -1866.137
where: short stacking energy: -753.900
Base-Backbone interact. energy: -4.460
local terms energy: -767.716769
where:
bonds (distance) C4'-P energy: -138.164
bonds (distance) P-C4' energy: -141.664
flat angles C4'-P-C4' energy: -156.057
flat angles P-C4'-P energy: -103.699
tors. eta vs tors. theta energy: -228.134
Dist. restrs. and SS energy: 12.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2592.405233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.405233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.562523 (E_RNA)
where:
Base-Base interactions energy: -1885.272
where: short stacking energy: -777.307
Base-Backbone interact. energy: 0.253
local terms energy: -712.544061
where:
bonds (distance) C4'-P energy: -122.770
bonds (distance) P-C4' energy: -111.573
flat angles C4'-P-C4' energy: -142.154
flat angles P-C4'-P energy: -101.323
tors. eta vs tors. theta energy: -234.723
Dist. restrs. and SS energy: 5.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2475.750457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.750457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.196766 (E_RNA)
where:
Base-Base interactions energy: -1750.099
where: short stacking energy: -696.601
Base-Backbone interact. energy: -3.475
local terms energy: -729.623142
where:
bonds (distance) C4'-P energy: -119.157
bonds (distance) P-C4' energy: -145.752
flat angles C4'-P-C4' energy: -148.062
flat angles P-C4'-P energy: -97.184
tors. eta vs tors. theta energy: -219.469
Dist. restrs. and SS energy: 7.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2472.070706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.070706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.765768 (E_RNA)
where:
Base-Base interactions energy: -1769.263
where: short stacking energy: -710.879
Base-Backbone interact. energy: -2.301
local terms energy: -709.202112
where:
bonds (distance) C4'-P energy: -121.681
bonds (distance) P-C4' energy: -126.393
flat angles C4'-P-C4' energy: -147.905
flat angles P-C4'-P energy: -103.045
tors. eta vs tors. theta energy: -210.179
Dist. restrs. and SS energy: 8.695 (S_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: 306
Temperature: 1.200000
Total energy: -2360.923045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.923045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.216108 (E_RNA)
where:
Base-Base interactions energy: -1662.286
where: short stacking energy: -677.078
Base-Backbone interact. energy: -0.092
local terms energy: -717.837263
where:
bonds (distance) C4'-P energy: -118.813
bonds (distance) P-C4' energy: -125.393
flat angles C4'-P-C4' energy: -159.492
flat angles P-C4'-P energy: -103.133
tors. eta vs tors. theta energy: -211.006
Dist. restrs. and SS energy: 19.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2247.419425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.419425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.400720 (E_RNA)
where:
Base-Base interactions energy: -1593.217
where: short stacking energy: -645.364
Base-Backbone interact. energy: -2.058
local terms energy: -660.125678
where:
bonds (distance) C4'-P energy: -119.271
bonds (distance) P-C4' energy: -104.949
flat angles C4'-P-C4' energy: -134.338
flat angles P-C4'-P energy: -94.526
tors. eta vs tors. theta energy: -207.042
Dist. restrs. and SS energy: 7.981 (S_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: 306
Temperature: 1.300000
Total energy: -2186.097633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.097633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.133425 (E_RNA)
where:
Base-Base interactions energy: -1577.443
where: short stacking energy: -646.388
Base-Backbone interact. energy: -2.462
local terms energy: -620.228801
where:
bonds (distance) C4'-P energy: -86.876
bonds (distance) P-C4' energy: -118.386
flat angles C4'-P-C4' energy: -137.104
flat angles P-C4'-P energy: -89.973
tors. eta vs tors. theta energy: -187.890
Dist. restrs. and SS energy: 14.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -2061.429857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.429857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.548157 (E_RNA)
where:
Base-Base interactions energy: -1495.573
where: short stacking energy: -579.219
Base-Backbone interact. energy: -0.589
local terms energy: -576.386926
where:
bonds (distance) C4'-P energy: -93.247
bonds (distance) P-C4' energy: -108.950
flat angles C4'-P-C4' energy: -126.142
flat angles P-C4'-P energy: -71.951
tors. eta vs tors. theta energy: -176.097
Dist. restrs. and SS energy: 11.118 (S_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: 307
Temperature: 0.900000
Total energy: -2803.055633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.055633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.796518 (E_RNA)
where:
Base-Base interactions energy: -1965.540
where: short stacking energy: -814.235
Base-Backbone interact. energy: -1.676
local terms energy: -842.581099
where:
bonds (distance) C4'-P energy: -147.054
bonds (distance) P-C4' energy: -141.068
flat angles C4'-P-C4' energy: -171.640
flat angles P-C4'-P energy: -124.169
tors. eta vs tors. theta energy: -258.650
Dist. restrs. and SS energy: 6.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2686.438830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.438830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.303305 (E_RNA)
where:
Base-Base interactions energy: -1898.136
where: short stacking energy: -794.695
Base-Backbone interact. energy: -5.066
local terms energy: -799.101870
where:
bonds (distance) C4'-P energy: -122.119
bonds (distance) P-C4' energy: -147.256
flat angles C4'-P-C4' energy: -174.689
flat angles P-C4'-P energy: -116.764
tors. eta vs tors. theta energy: -238.275
Dist. restrs. and SS energy: 15.864 (S_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: -2604.242112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.242112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.348079 (E_RNA)
where:
Base-Base interactions energy: -1861.362
where: short stacking energy: -758.843
Base-Backbone interact. energy: -0.012
local terms energy: -754.974044
where:
bonds (distance) C4'-P energy: -127.792
bonds (distance) P-C4' energy: -130.592
flat angles C4'-P-C4' energy: -151.321
flat angles P-C4'-P energy: -112.600
tors. eta vs tors. theta energy: -232.669
Dist. restrs. and SS energy: 12.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2601.244285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.244285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.279652 (E_RNA)
where:
Base-Base interactions energy: -1858.658
where: short stacking energy: -760.722
Base-Backbone interact. energy: -1.070
local terms energy: -746.551326
where:
bonds (distance) C4'-P energy: -105.775
bonds (distance) P-C4' energy: -125.286
flat angles C4'-P-C4' energy: -161.055
flat angles P-C4'-P energy: -106.611
tors. eta vs tors. theta energy: -247.824
Dist. restrs. and SS energy: 5.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2479.070225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.070225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.800434 (E_RNA)
where:
Base-Base interactions energy: -1770.651
where: short stacking energy: -716.709
Base-Backbone interact. energy: -1.221
local terms energy: -710.928685
where:
bonds (distance) C4'-P energy: -106.427
bonds (distance) P-C4' energy: -121.035
flat angles C4'-P-C4' energy: -167.396
flat angles P-C4'-P energy: -99.030
tors. eta vs tors. theta energy: -217.040
Dist. restrs. and SS energy: 3.730 (S_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: 307
Temperature: 1.150000
Total energy: -2417.797298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.797298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.203572 (E_RNA)
where:
Base-Base interactions energy: -1742.251
where: short stacking energy: -704.967
Base-Backbone interact. energy: -3.832
local terms energy: -685.120464
where:
bonds (distance) C4'-P energy: -111.716
bonds (distance) P-C4' energy: -113.946
flat angles C4'-P-C4' energy: -146.865
flat angles P-C4'-P energy: -94.723
tors. eta vs tors. theta energy: -217.871
Dist. restrs. and SS energy: 13.406 (S_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: 307
Temperature: 1.200000
Total energy: -2364.574353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.574353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.505021 (E_RNA)
where:
Base-Base interactions energy: -1687.713
where: short stacking energy: -654.574
Base-Backbone interact. energy: -1.240
local terms energy: -696.551868
where:
bonds (distance) C4'-P energy: -127.350
bonds (distance) P-C4' energy: -122.801
flat angles C4'-P-C4' energy: -146.554
flat angles P-C4'-P energy: -94.959
tors. eta vs tors. theta energy: -204.887
Dist. restrs. and SS energy: 20.931 (S_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: 307
Temperature: 1.250000
Total energy: -2260.811785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.811785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.482505 (E_RNA)
where:
Base-Base interactions energy: -1623.391
where: short stacking energy: -636.786
Base-Backbone interact. energy: -2.118
local terms energy: -641.973303
where:
bonds (distance) C4'-P energy: -98.741
bonds (distance) P-C4' energy: -116.303
flat angles C4'-P-C4' energy: -140.811
flat angles P-C4'-P energy: -87.697
tors. eta vs tors. theta energy: -198.422
Dist. restrs. and SS energy: 6.671 (S_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: 307
Temperature: 1.300000
Total energy: -2204.125215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.125215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.118809 (E_RNA)
where:
Base-Base interactions energy: -1586.473
where: short stacking energy: -613.675
Base-Backbone interact. energy: 8.316
local terms energy: -628.961938
where:
bonds (distance) C4'-P energy: -122.907
bonds (distance) P-C4' energy: -106.398
flat angles C4'-P-C4' energy: -132.115
flat angles P-C4'-P energy: -88.811
tors. eta vs tors. theta energy: -178.731
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -2069.970304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.970304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.576204 (E_RNA)
where:
Base-Base interactions energy: -1508.209
where: short stacking energy: -601.889
Base-Backbone interact. energy: 2.533
local terms energy: -571.899929
where:
bonds (distance) C4'-P energy: -99.427
bonds (distance) P-C4' energy: -102.706
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -64.743
tors. eta vs tors. theta energy: -175.741
Dist. restrs. and SS energy: 7.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2810.200696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.200696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.106324 (E_RNA)
where:
Base-Base interactions energy: -1999.140
where: short stacking energy: -828.837
Base-Backbone interact. energy: -2.204
local terms energy: -814.762072
where:
bonds (distance) C4'-P energy: -131.947
bonds (distance) P-C4' energy: -139.513
flat angles C4'-P-C4' energy: -169.135
flat angles P-C4'-P energy: -120.159
tors. eta vs tors. theta energy: -254.008
Dist. restrs. and SS energy: 5.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2661.358132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.358132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.734622 (E_RNA)
where:
Base-Base interactions energy: -1880.128
where: short stacking energy: -773.716
Base-Backbone interact. energy: -5.155
local terms energy: -789.452072
where:
bonds (distance) C4'-P energy: -140.425
bonds (distance) P-C4' energy: -142.402
flat angles C4'-P-C4' energy: -163.350
flat angles P-C4'-P energy: -101.525
tors. eta vs tors. theta energy: -241.750
Dist. restrs. and SS energy: 13.376 (S_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: -2602.616253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.616253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.618433 (E_RNA)
where:
Base-Base interactions energy: -1854.903
where: short stacking energy: -741.801
Base-Backbone interact. energy: -2.557
local terms energy: -757.157765
where:
bonds (distance) C4'-P energy: -125.002
bonds (distance) P-C4' energy: -138.257
flat angles C4'-P-C4' energy: -169.410
flat angles P-C4'-P energy: -92.886
tors. eta vs tors. theta energy: -231.603
Dist. restrs. and SS energy: 12.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2566.213728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.213728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.587305 (E_RNA)
where:
Base-Base interactions energy: -1813.838
where: short stacking energy: -738.039
Base-Backbone interact. energy: -3.550
local terms energy: -753.199771
where:
bonds (distance) C4'-P energy: -124.747
bonds (distance) P-C4' energy: -129.229
flat angles C4'-P-C4' energy: -146.825
flat angles P-C4'-P energy: -113.744
tors. eta vs tors. theta energy: -238.655
Dist. restrs. and SS energy: 4.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2508.897634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.897634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.759488 (E_RNA)
where:
Base-Base interactions energy: -1801.287
where: short stacking energy: -737.680
Base-Backbone interact. energy: -2.247
local terms energy: -709.225576
where:
bonds (distance) C4'-P energy: -127.386
bonds (distance) P-C4' energy: -111.578
flat angles C4'-P-C4' energy: -151.556
flat angles P-C4'-P energy: -93.099
tors. eta vs tors. theta energy: -225.606
Dist. restrs. and SS energy: 3.862 (S_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: 308
Temperature: 1.150000
Total energy: -2444.082866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.082866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.323821 (E_RNA)
where:
Base-Base interactions energy: -1729.585
where: short stacking energy: -714.894
Base-Backbone interact. energy: 0.421
local terms energy: -727.159149
where:
bonds (distance) C4'-P energy: -128.602
bonds (distance) P-C4' energy: -132.716
flat angles C4'-P-C4' energy: -145.878
flat angles P-C4'-P energy: -95.276
tors. eta vs tors. theta energy: -224.688
Dist. restrs. and SS energy: 12.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2337.614734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.614734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.400135 (E_RNA)
where:
Base-Base interactions energy: -1678.117
where: short stacking energy: -687.884
Base-Backbone interact. energy: -1.179
local terms energy: -672.104200
where:
bonds (distance) C4'-P energy: -113.168
bonds (distance) P-C4' energy: -123.142
flat angles C4'-P-C4' energy: -145.314
flat angles P-C4'-P energy: -86.313
tors. eta vs tors. theta energy: -204.167
Dist. restrs. and SS energy: 13.785 (S_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: 308
Temperature: 1.250000
Total energy: -2235.092836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.092836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.142495 (E_RNA)
where:
Base-Base interactions energy: -1595.276
where: short stacking energy: -653.461
Base-Backbone interact. energy: -1.854
local terms energy: -653.011772
where:
bonds (distance) C4'-P energy: -98.495
bonds (distance) P-C4' energy: -124.151
flat angles C4'-P-C4' energy: -144.885
flat angles P-C4'-P energy: -92.061
tors. eta vs tors. theta energy: -193.420
Dist. restrs. and SS energy: 15.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -2212.715979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.715979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.816240 (E_RNA)
where:
Base-Base interactions energy: -1605.872
where: short stacking energy: -625.629
Base-Backbone interact. energy: 1.332
local terms energy: -615.276113
where:
bonds (distance) C4'-P energy: -102.251
bonds (distance) P-C4' energy: -110.593
flat angles C4'-P-C4' energy: -132.918
flat angles P-C4'-P energy: -84.741
tors. eta vs tors. theta energy: -184.772
Dist. restrs. and SS energy: 7.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -2069.223337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.223337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.383534 (E_RNA)
where:
Base-Base interactions energy: -1488.222
where: short stacking energy: -583.531
Base-Backbone interact. energy: -2.176
local terms energy: -584.986001
where:
bonds (distance) C4'-P energy: -103.818
bonds (distance) P-C4' energy: -95.781
flat angles C4'-P-C4' energy: -140.944
flat angles P-C4'-P energy: -71.192
tors. eta vs tors. theta energy: -173.251
Dist. restrs. and SS energy: 6.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2806.402587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.402587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.642310 (E_RNA)
where:
Base-Base interactions energy: -1976.906
where: short stacking energy: -812.777
Base-Backbone interact. energy: -0.413
local terms energy: -837.323440
where:
bonds (distance) C4'-P energy: -144.115
bonds (distance) P-C4' energy: -145.651
flat angles C4'-P-C4' energy: -170.684
flat angles P-C4'-P energy: -120.839
tors. eta vs tors. theta energy: -256.034
Dist. restrs. and SS energy: 8.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2662.375446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.375446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.800152 (E_RNA)
where:
Base-Base interactions energy: -1883.158
where: short stacking energy: -749.099
Base-Backbone interact. energy: -2.333
local terms energy: -792.309605
where:
bonds (distance) C4'-P energy: -128.821
bonds (distance) P-C4' energy: -134.837
flat angles C4'-P-C4' energy: -164.389
flat angles P-C4'-P energy: -121.772
tors. eta vs tors. theta energy: -242.491
Dist. restrs. and SS energy: 15.425 (S_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: 309
Temperature: 1.000000
Total energy: -2596.776829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.776829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.576054 (E_RNA)
where:
Base-Base interactions energy: -1874.153
where: short stacking energy: -751.753
Base-Backbone interact. energy: -2.441
local terms energy: -729.982209
where:
bonds (distance) C4'-P energy: -115.824
bonds (distance) P-C4' energy: -126.174
flat angles C4'-P-C4' energy: -157.663
flat angles P-C4'-P energy: -101.181
tors. eta vs tors. theta energy: -229.140
Dist. restrs. and SS energy: 9.799 (S_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: -2557.415340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.415340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.170336 (E_RNA)
where:
Base-Base interactions energy: -1831.463
where: short stacking energy: -751.350
Base-Backbone interact. energy: -2.130
local terms energy: -727.577030
where:
bonds (distance) C4'-P energy: -127.540
bonds (distance) P-C4' energy: -115.754
flat angles C4'-P-C4' energy: -139.599
flat angles P-C4'-P energy: -103.144
tors. eta vs tors. theta energy: -241.540
Dist. restrs. and SS energy: 3.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2506.507601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.507601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.133511 (E_RNA)
where:
Base-Base interactions energy: -1769.988
where: short stacking energy: -703.469
Base-Backbone interact. energy: -2.728
local terms energy: -739.417988
where:
bonds (distance) C4'-P energy: -125.647
bonds (distance) P-C4' energy: -128.949
flat angles C4'-P-C4' energy: -154.993
flat angles P-C4'-P energy: -104.269
tors. eta vs tors. theta energy: -225.561
Dist. restrs. and SS energy: 5.626 (S_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: 309
Temperature: 1.150000
Total energy: -2428.990796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.990796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.627865 (E_RNA)
where:
Base-Base interactions energy: -1748.438
where: short stacking energy: -709.218
Base-Backbone interact. energy: -0.677
local terms energy: -692.513179
where:
bonds (distance) C4'-P energy: -123.814
bonds (distance) P-C4' energy: -105.029
flat angles C4'-P-C4' energy: -143.909
flat angles P-C4'-P energy: -98.977
tors. eta vs tors. theta energy: -220.783
Dist. restrs. and SS energy: 12.637 (S_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: 309
Temperature: 1.200000
Total energy: -2339.057571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.057571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.807907 (E_RNA)
where:
Base-Base interactions energy: -1648.915
where: short stacking energy: -665.374
Base-Backbone interact. energy: -1.386
local terms energy: -707.506605
where:
bonds (distance) C4'-P energy: -113.290
bonds (distance) P-C4' energy: -139.358
flat angles C4'-P-C4' energy: -148.175
flat angles P-C4'-P energy: -96.009
tors. eta vs tors. theta energy: -210.674
Dist. restrs. and SS energy: 18.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2299.486918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.486918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.653032 (E_RNA)
where:
Base-Base interactions energy: -1652.627
where: short stacking energy: -664.196
Base-Backbone interact. energy: 0.297
local terms energy: -651.323145
where:
bonds (distance) C4'-P energy: -107.734
bonds (distance) P-C4' energy: -111.459
flat angles C4'-P-C4' energy: -133.580
flat angles P-C4'-P energy: -85.459
tors. eta vs tors. theta energy: -213.091
Dist. restrs. and SS energy: 4.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -2178.894342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.894342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.561566 (E_RNA)
where:
Base-Base interactions energy: -1553.818
where: short stacking energy: -623.650
Base-Backbone interact. energy: -0.533
local terms energy: -638.210020
where:
bonds (distance) C4'-P energy: -117.284
bonds (distance) P-C4' energy: -104.531
flat angles C4'-P-C4' energy: -140.687
flat angles P-C4'-P energy: -77.557
tors. eta vs tors. theta energy: -198.150
Dist. restrs. and SS energy: 13.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -2123.086270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.086270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.189206 (E_RNA)
where:
Base-Base interactions energy: -1541.495
where: short stacking energy: -623.394
Base-Backbone interact. energy: 3.843
local terms energy: -599.537893
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -95.630
flat angles C4'-P-C4' energy: -142.433
flat angles P-C4'-P energy: -75.473
tors. eta vs tors. theta energy: -181.338
Dist. restrs. and SS energy: 14.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2792.949151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.949151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.347582 (E_RNA)
where:
Base-Base interactions energy: -1972.526
where: short stacking energy: -814.805
Base-Backbone interact. energy: -2.404
local terms energy: -824.417533
where:
bonds (distance) C4'-P energy: -133.222
bonds (distance) P-C4' energy: -152.246
flat angles C4'-P-C4' energy: -176.001
flat angles P-C4'-P energy: -116.179
tors. eta vs tors. theta energy: -246.769
Dist. restrs. and SS energy: 6.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2680.590391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.590391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.524413 (E_RNA)
where:
Base-Base interactions energy: -1904.046
where: short stacking energy: -774.203
Base-Backbone interact. energy: -4.312
local terms energy: -784.166326
where:
bonds (distance) C4'-P energy: -138.082
bonds (distance) P-C4' energy: -132.570
flat angles C4'-P-C4' energy: -162.080
flat angles P-C4'-P energy: -115.216
tors. eta vs tors. theta energy: -236.218
Dist. restrs. and SS energy: 11.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2624.426599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.426599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.193019 (E_RNA)
where:
Base-Base interactions energy: -1854.519
where: short stacking energy: -762.415
Base-Backbone interact. energy: -2.615
local terms energy: -774.058958
where:
bonds (distance) C4'-P energy: -134.583
bonds (distance) P-C4' energy: -135.213
flat angles C4'-P-C4' energy: -163.195
flat angles P-C4'-P energy: -110.358
tors. eta vs tors. theta energy: -230.711
Dist. restrs. and SS energy: 6.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2543.468045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.468045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.614975 (E_RNA)
where:
Base-Base interactions energy: -1797.380
where: short stacking energy: -728.563
Base-Backbone interact. energy: -0.563
local terms energy: -757.672177
where:
bonds (distance) C4'-P energy: -120.335
bonds (distance) P-C4' energy: -137.325
flat angles C4'-P-C4' energy: -151.544
flat angles P-C4'-P energy: -118.322
tors. eta vs tors. theta energy: -230.146
Dist. restrs. and SS energy: 12.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2494.245850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.245850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.183227 (E_RNA)
where:
Base-Base interactions energy: -1791.026
where: short stacking energy: -718.306
Base-Backbone interact. energy: 2.350
local terms energy: -709.507192
where:
bonds (distance) C4'-P energy: -127.754
bonds (distance) P-C4' energy: -120.911
flat angles C4'-P-C4' energy: -150.025
flat angles P-C4'-P energy: -91.266
tors. eta vs tors. theta energy: -219.552
Dist. restrs. and SS energy: 3.937 (S_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: 310
Temperature: 1.150000
Total energy: -2465.386997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.386997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.202443 (E_RNA)
where:
Base-Base interactions energy: -1780.970
where: short stacking energy: -715.023
Base-Backbone interact. energy: 1.444
local terms energy: -695.676574
where:
bonds (distance) C4'-P energy: -110.363
bonds (distance) P-C4' energy: -115.307
flat angles C4'-P-C4' energy: -138.243
flat angles P-C4'-P energy: -100.676
tors. eta vs tors. theta energy: -231.088
Dist. restrs. and SS energy: 9.815 (S_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: 310
Temperature: 1.200000
Total energy: -2346.626241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.626241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.764237 (E_RNA)
where:
Base-Base interactions energy: -1672.457
where: short stacking energy: -688.408
Base-Backbone interact. energy: -1.589
local terms energy: -684.717882
where:
bonds (distance) C4'-P energy: -126.514
bonds (distance) P-C4' energy: -109.693
flat angles C4'-P-C4' energy: -140.650
flat angles P-C4'-P energy: -97.191
tors. eta vs tors. theta energy: -210.669
Dist. restrs. and SS energy: 12.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2267.327822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.327822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.085056 (E_RNA)
where:
Base-Base interactions energy: -1624.372
where: short stacking energy: -659.520
Base-Backbone interact. energy: 4.098
local terms energy: -651.811620
where:
bonds (distance) C4'-P energy: -105.721
bonds (distance) P-C4' energy: -124.770
flat angles C4'-P-C4' energy: -127.859
flat angles P-C4'-P energy: -94.051
tors. eta vs tors. theta energy: -199.410
Dist. restrs. and SS energy: 4.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -2155.559663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.559663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.877436 (E_RNA)
where:
Base-Base interactions energy: -1567.769
where: short stacking energy: -628.730
Base-Backbone interact. energy: -1.651
local terms energy: -599.457630
where:
bonds (distance) C4'-P energy: -106.118
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -131.214
flat angles P-C4'-P energy: -80.450
tors. eta vs tors. theta energy: -179.709
Dist. restrs. and SS energy: 13.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -2105.252803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.252803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.526032 (E_RNA)
where:
Base-Base interactions energy: -1533.041
where: short stacking energy: -615.110
Base-Backbone interact. energy: -1.779
local terms energy: -589.705543
where:
bonds (distance) C4'-P energy: -76.549
bonds (distance) P-C4' energy: -102.084
flat angles C4'-P-C4' energy: -129.035
flat angles P-C4'-P energy: -87.843
tors. eta vs tors. theta energy: -194.194
Dist. restrs. and SS energy: 19.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2823.386768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.386768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.632379 (E_RNA)
where:
Base-Base interactions energy: -2008.119
where: short stacking energy: -835.883
Base-Backbone interact. energy: -3.345
local terms energy: -817.168946
where:
bonds (distance) C4'-P energy: -141.067
bonds (distance) P-C4' energy: -139.699
flat angles C4'-P-C4' energy: -163.304
flat angles P-C4'-P energy: -120.777
tors. eta vs tors. theta energy: -252.322
Dist. restrs. and SS energy: 5.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2697.225696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.225696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.643656 (E_RNA)
where:
Base-Base interactions energy: -1901.986
where: short stacking energy: -778.999
Base-Backbone interact. energy: 0.678
local terms energy: -809.335163
where:
bonds (distance) C4'-P energy: -136.956
bonds (distance) P-C4' energy: -137.760
flat angles C4'-P-C4' energy: -170.854
flat angles P-C4'-P energy: -115.244
tors. eta vs tors. theta energy: -248.521
Dist. restrs. and SS energy: 13.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2656.752819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.752819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.142927 (E_RNA)
where:
Base-Base interactions energy: -1879.719
where: short stacking energy: -779.127
Base-Backbone interact. energy: 0.507
local terms energy: -780.930511
where:
bonds (distance) C4'-P energy: -121.364
bonds (distance) P-C4' energy: -132.722
flat angles C4'-P-C4' energy: -162.982
flat angles P-C4'-P energy: -118.017
tors. eta vs tors. theta energy: -245.845
Dist. restrs. and SS energy: 3.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2521.518588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.518588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.525525 (E_RNA)
where:
Base-Base interactions energy: -1792.470
where: short stacking energy: -736.250
Base-Backbone interact. energy: -0.448
local terms energy: -740.606924
where:
bonds (distance) C4'-P energy: -120.560
bonds (distance) P-C4' energy: -131.058
flat angles C4'-P-C4' energy: -160.951
flat angles P-C4'-P energy: -97.677
tors. eta vs tors. theta energy: -230.361
Dist. restrs. and SS energy: 12.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2507.258372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.258372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.005478 (E_RNA)
where:
Base-Base interactions energy: -1797.697
where: short stacking energy: -730.792
Base-Backbone interact. energy: -2.326
local terms energy: -717.982094
where:
bonds (distance) C4'-P energy: -116.767
bonds (distance) P-C4' energy: -107.691
flat angles C4'-P-C4' energy: -158.889
flat angles P-C4'-P energy: -97.895
tors. eta vs tors. theta energy: -236.740
Dist. restrs. and SS energy: 10.747 (S_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: 311
Temperature: 1.150000
Total energy: -2473.702783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.702783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.260644 (E_RNA)
where:
Base-Base interactions energy: -1769.062
where: short stacking energy: -732.444
Base-Backbone interact. energy: -4.198
local terms energy: -711.000585
where:
bonds (distance) C4'-P energy: -124.561
bonds (distance) P-C4' energy: -123.695
flat angles C4'-P-C4' energy: -145.494
flat angles P-C4'-P energy: -93.565
tors. eta vs tors. theta energy: -223.686
Dist. restrs. and SS energy: 10.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2289.188056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.188056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.351649 (E_RNA)
where:
Base-Base interactions energy: -1615.612
where: short stacking energy: -649.149
Base-Backbone interact. energy: -2.340
local terms energy: -677.399023
where:
bonds (distance) C4'-P energy: -133.953
bonds (distance) P-C4' energy: -115.699
flat angles C4'-P-C4' energy: -134.648
flat angles P-C4'-P energy: -97.015
tors. eta vs tors. theta energy: -196.084
Dist. restrs. and SS energy: 6.164 (S_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: 311
Temperature: 1.250000
Total energy: -2243.039957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.039957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.045063 (E_RNA)
where:
Base-Base interactions energy: -1611.183
where: short stacking energy: -634.482
Base-Backbone interact. energy: 2.302
local terms energy: -641.164517
where:
bonds (distance) C4'-P energy: -112.788
bonds (distance) P-C4' energy: -114.734
flat angles C4'-P-C4' energy: -136.262
flat angles P-C4'-P energy: -78.832
tors. eta vs tors. theta energy: -198.549
Dist. restrs. and SS energy: 7.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -2228.200476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.200476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.894207 (E_RNA)
where:
Base-Base interactions energy: -1599.377
where: short stacking energy: -623.653
Base-Backbone interact. energy: 0.210
local terms energy: -634.727132
where:
bonds (distance) C4'-P energy: -106.768
bonds (distance) P-C4' energy: -110.374
flat angles C4'-P-C4' energy: -136.623
flat angles P-C4'-P energy: -90.250
tors. eta vs tors. theta energy: -190.712
Dist. restrs. and SS energy: 5.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -2172.582779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.582779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.685151 (E_RNA)
where:
Base-Base interactions energy: -1534.704
where: short stacking energy: -611.251
Base-Backbone interact. energy: 0.413
local terms energy: -646.393940
where:
bonds (distance) C4'-P energy: -119.357
bonds (distance) P-C4' energy: -123.987
flat angles C4'-P-C4' energy: -134.814
flat angles P-C4'-P energy: -86.595
tors. eta vs tors. theta energy: -181.640
Dist. restrs. and SS energy: 8.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2822.844158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.844158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.255850 (E_RNA)
where:
Base-Base interactions energy: -1986.844
where: short stacking energy: -808.891
Base-Backbone interact. energy: -1.312
local terms energy: -840.100333
where:
bonds (distance) C4'-P energy: -147.462
bonds (distance) P-C4' energy: -148.347
flat angles C4'-P-C4' energy: -167.223
flat angles P-C4'-P energy: -123.071
tors. eta vs tors. theta energy: -253.997
Dist. restrs. and SS energy: 5.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2699.073706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.073706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.469481 (E_RNA)
where:
Base-Base interactions energy: -1898.624
where: short stacking energy: -767.826
Base-Backbone interact. energy: -0.815
local terms energy: -812.030585
where:
bonds (distance) C4'-P energy: -152.951
bonds (distance) P-C4' energy: -138.226
flat angles C4'-P-C4' energy: -164.287
flat angles P-C4'-P energy: -116.366
tors. eta vs tors. theta energy: -240.200
Dist. restrs. and SS energy: 12.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2644.236088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.236088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.726085 (E_RNA)
where:
Base-Base interactions energy: -1844.128
where: short stacking energy: -773.000
Base-Backbone interact. energy: -2.517
local terms energy: -802.081334
where:
bonds (distance) C4'-P energy: -141.953
bonds (distance) P-C4' energy: -140.145
flat angles C4'-P-C4' energy: -164.167
flat angles P-C4'-P energy: -116.053
tors. eta vs tors. theta energy: -239.763
Dist. restrs. and SS energy: 4.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2557.038492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.038492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.983996 (E_RNA)
where:
Base-Base interactions energy: -1811.550
where: short stacking energy: -724.116
Base-Backbone interact. energy: -0.233
local terms energy: -753.200919
where:
bonds (distance) C4'-P energy: -127.553
bonds (distance) P-C4' energy: -135.399
flat angles C4'-P-C4' energy: -155.813
flat angles P-C4'-P energy: -107.956
tors. eta vs tors. theta energy: -226.480
Dist. restrs. and SS energy: 7.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2514.031691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.031691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.379235 (E_RNA)
where:
Base-Base interactions energy: -1784.651
where: short stacking energy: -710.482
Base-Backbone interact. energy: 0.183
local terms energy: -736.910885
where:
bonds (distance) C4'-P energy: -117.543
bonds (distance) P-C4' energy: -128.759
flat angles C4'-P-C4' energy: -154.717
flat angles P-C4'-P energy: -98.196
tors. eta vs tors. theta energy: -237.695
Dist. restrs. and SS energy: 7.348 (S_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: 312
Temperature: 1.150000
Total energy: -2427.557583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.557583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.979500 (E_RNA)
where:
Base-Base interactions energy: -1744.294
where: short stacking energy: -708.763
Base-Backbone interact. energy: -1.922
local terms energy: -691.763247
where:
bonds (distance) C4'-P energy: -111.353
bonds (distance) P-C4' energy: -121.346
flat angles C4'-P-C4' energy: -152.401
flat angles P-C4'-P energy: -87.731
tors. eta vs tors. theta energy: -218.932
Dist. restrs. and SS energy: 10.422 (S_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: 312
Temperature: 1.200000
Total energy: -2321.731854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.731854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.601741 (E_RNA)
where:
Base-Base interactions energy: -1647.555
where: short stacking energy: -670.588
Base-Backbone interact. energy: 0.101
local terms energy: -680.148199
where:
bonds (distance) C4'-P energy: -125.463
bonds (distance) P-C4' energy: -127.388
flat angles C4'-P-C4' energy: -128.800
flat angles P-C4'-P energy: -93.909
tors. eta vs tors. theta energy: -204.589
Dist. restrs. and SS energy: 5.870 (S_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: 312
Temperature: 1.250000
Total energy: -2212.664365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.664365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.649965 (E_RNA)
where:
Base-Base interactions energy: -1584.727
where: short stacking energy: -629.069
Base-Backbone interact. energy: 0.912
local terms energy: -635.834182
where:
bonds (distance) C4'-P energy: -109.852
bonds (distance) P-C4' energy: -106.254
flat angles C4'-P-C4' energy: -147.221
flat angles P-C4'-P energy: -76.061
tors. eta vs tors. theta energy: -196.447
Dist. restrs. and SS energy: 6.986 (S_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: 312
Temperature: 1.300000
Total energy: -2153.767396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.767396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.018963 (E_RNA)
where:
Base-Base interactions energy: -1540.867
where: short stacking energy: -622.060
Base-Backbone interact. energy: 4.724
local terms energy: -622.875394
where:
bonds (distance) C4'-P energy: -106.894
bonds (distance) P-C4' energy: -115.437
flat angles C4'-P-C4' energy: -126.779
flat angles P-C4'-P energy: -86.878
tors. eta vs tors. theta energy: -186.887
Dist. restrs. and SS energy: 5.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -2052.108748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.108748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.786417 (E_RNA)
where:
Base-Base interactions energy: -1507.845
where: short stacking energy: -598.557
Base-Backbone interact. energy: -4.051
local terms energy: -550.890282
where:
bonds (distance) C4'-P energy: -91.699
bonds (distance) P-C4' energy: -88.187
flat angles C4'-P-C4' energy: -124.247
flat angles P-C4'-P energy: -73.133
tors. eta vs tors. theta energy: -173.624
Dist. restrs. and SS energy: 10.678 (S_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: -2807.549439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.549439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.035000 (E_RNA)
where:
Base-Base interactions energy: -2003.697
where: short stacking energy: -802.359
Base-Backbone interact. energy: -2.791
local terms energy: -807.546660
where:
bonds (distance) C4'-P energy: -133.621
bonds (distance) P-C4' energy: -143.634
flat angles C4'-P-C4' energy: -166.029
flat angles P-C4'-P energy: -116.965
tors. eta vs tors. theta energy: -247.297
Dist. restrs. and SS energy: 6.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2663.450468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.450468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.871150 (E_RNA)
where:
Base-Base interactions energy: -1875.304
where: short stacking energy: -761.905
Base-Backbone interact. energy: -0.179
local terms energy: -802.388190
where:
bonds (distance) C4'-P energy: -142.150
bonds (distance) P-C4' energy: -136.758
flat angles C4'-P-C4' energy: -165.331
flat angles P-C4'-P energy: -115.233
tors. eta vs tors. theta energy: -242.916
Dist. restrs. and SS energy: 14.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2632.221920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.221920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.524674 (E_RNA)
where:
Base-Base interactions energy: -1852.783
where: short stacking energy: -774.455
Base-Backbone interact. energy: -0.858
local terms energy: -782.883669
where:
bonds (distance) C4'-P energy: -124.653
bonds (distance) P-C4' energy: -136.302
flat angles C4'-P-C4' energy: -163.124
flat angles P-C4'-P energy: -118.839
tors. eta vs tors. theta energy: -239.966
Dist. restrs. and SS energy: 4.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2537.044582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.044582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.011237 (E_RNA)
where:
Base-Base interactions energy: -1811.915
where: short stacking energy: -735.116
Base-Backbone interact. energy: -3.922
local terms energy: -732.173991
where:
bonds (distance) C4'-P energy: -122.765
bonds (distance) P-C4' energy: -121.592
flat angles C4'-P-C4' energy: -159.351
flat angles P-C4'-P energy: -101.606
tors. eta vs tors. theta energy: -226.860
Dist. restrs. and SS energy: 10.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2486.743211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.743211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.925488 (E_RNA)
where:
Base-Base interactions energy: -1770.466
where: short stacking energy: -721.870
Base-Backbone interact. energy: -1.206
local terms energy: -724.253889
where:
bonds (distance) C4'-P energy: -118.613
bonds (distance) P-C4' energy: -125.569
flat angles C4'-P-C4' energy: -148.727
flat angles P-C4'-P energy: -106.707
tors. eta vs tors. theta energy: -224.639
Dist. restrs. and SS energy: 9.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2384.267834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.267834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.400792 (E_RNA)
where:
Base-Base interactions energy: -1699.869
where: short stacking energy: -693.346
Base-Backbone interact. energy: -3.839
local terms energy: -690.692662
where:
bonds (distance) C4'-P energy: -104.280
bonds (distance) P-C4' energy: -126.513
flat angles C4'-P-C4' energy: -143.689
flat angles P-C4'-P energy: -96.661
tors. eta vs tors. theta energy: -219.550
Dist. restrs. and SS energy: 10.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2386.446564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.446564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.080833 (E_RNA)
where:
Base-Base interactions energy: -1700.157
where: short stacking energy: -675.046
Base-Backbone interact. energy: -2.945
local terms energy: -690.978722
where:
bonds (distance) C4'-P energy: -117.211
bonds (distance) P-C4' energy: -118.435
flat angles C4'-P-C4' energy: -144.193
flat angles P-C4'-P energy: -97.597
tors. eta vs tors. theta energy: -213.544
Dist. restrs. and SS energy: 7.634 (S_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: 313
Temperature: 1.250000
Total energy: -2268.349769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.426497 (E_RNA)
where:
Base-Base interactions energy: -1585.971
where: short stacking energy: -634.380
Base-Backbone interact. energy: -0.889
local terms energy: -694.566393
where:
bonds (distance) C4'-P energy: -132.474
bonds (distance) P-C4' energy: -137.458
flat angles C4'-P-C4' energy: -126.187
flat angles P-C4'-P energy: -97.331
tors. eta vs tors. theta energy: -201.117
Dist. restrs. and SS energy: 13.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -2153.757683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.757683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.762519 (E_RNA)
where:
Base-Base interactions energy: -1544.487
where: short stacking energy: -630.246
Base-Backbone interact. energy: 1.497
local terms energy: -622.772283
where:
bonds (distance) C4'-P energy: -113.634
bonds (distance) P-C4' energy: -107.666
flat angles C4'-P-C4' energy: -137.936
flat angles P-C4'-P energy: -78.034
tors. eta vs tors. theta energy: -185.502
Dist. restrs. and SS energy: 12.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -2131.880676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.880676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.589875 (E_RNA)
where:
Base-Base interactions energy: -1551.178
where: short stacking energy: -615.864
Base-Backbone interact. energy: 0.778
local terms energy: -589.190382
where:
bonds (distance) C4'-P energy: -89.813
bonds (distance) P-C4' energy: -108.254
flat angles C4'-P-C4' energy: -127.155
flat angles P-C4'-P energy: -80.636
tors. eta vs tors. theta energy: -183.332
Dist. restrs. and SS energy: 7.709 (S_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: -2803.715222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.715222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.510819 (E_RNA)
where:
Base-Base interactions energy: -1988.490
where: short stacking energy: -801.180
Base-Backbone interact. energy: -2.047
local terms energy: -820.974013
where:
bonds (distance) C4'-P energy: -140.558
bonds (distance) P-C4' energy: -136.253
flat angles C4'-P-C4' energy: -173.499
flat angles P-C4'-P energy: -120.334
tors. eta vs tors. theta energy: -250.329
Dist. restrs. and SS energy: 7.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2685.728011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.728011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.064206 (E_RNA)
where:
Base-Base interactions energy: -1900.541
where: short stacking energy: -782.633
Base-Backbone interact. energy: -1.970
local terms energy: -799.553845
where:
bonds (distance) C4'-P energy: -133.097
bonds (distance) P-C4' energy: -143.865
flat angles C4'-P-C4' energy: -159.438
flat angles P-C4'-P energy: -119.591
tors. eta vs tors. theta energy: -243.563
Dist. restrs. and SS energy: 16.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2658.475377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.475377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.187659 (E_RNA)
where:
Base-Base interactions energy: -1880.560
where: short stacking energy: -781.280
Base-Backbone interact. energy: -0.946
local terms energy: -780.682036
where:
bonds (distance) C4'-P energy: -127.926
bonds (distance) P-C4' energy: -129.887
flat angles C4'-P-C4' energy: -159.739
flat angles P-C4'-P energy: -110.767
tors. eta vs tors. theta energy: -252.363
Dist. restrs. and SS energy: 3.712 (S_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: 314
Temperature: 1.050000
Total energy: -2548.372794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.372794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.145637 (E_RNA)
where:
Base-Base interactions energy: -1813.847
where: short stacking energy: -721.326
Base-Backbone interact. energy: 1.657
local terms energy: -749.955241
where:
bonds (distance) C4'-P energy: -119.633
bonds (distance) P-C4' energy: -144.723
flat angles C4'-P-C4' energy: -154.341
flat angles P-C4'-P energy: -103.350
tors. eta vs tors. theta energy: -227.909
Dist. restrs. and SS energy: 13.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2459.174181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.174181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.778909 (E_RNA)
where:
Base-Base interactions energy: -1762.354
where: short stacking energy: -697.979
Base-Backbone interact. energy: -3.305
local terms energy: -702.119705
where:
bonds (distance) C4'-P energy: -131.342
bonds (distance) P-C4' energy: -129.748
flat angles C4'-P-C4' energy: -135.361
flat angles P-C4'-P energy: -89.314
tors. eta vs tors. theta energy: -216.355
Dist. restrs. and SS energy: 8.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2342.241425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.241425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.935964 (E_RNA)
where:
Base-Base interactions energy: -1649.775
where: short stacking energy: -670.505
Base-Backbone interact. energy: 3.974
local terms energy: -705.134450
where:
bonds (distance) C4'-P energy: -126.663
bonds (distance) P-C4' energy: -127.258
flat angles C4'-P-C4' energy: -132.789
flat angles P-C4'-P energy: -104.657
tors. eta vs tors. theta energy: -213.766
Dist. restrs. and SS energy: 8.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2345.056887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.056887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.467918 (E_RNA)
where:
Base-Base interactions energy: -1698.613
where: short stacking energy: -687.447
Base-Backbone interact. energy: -3.608
local terms energy: -649.247670
where:
bonds (distance) C4'-P energy: -103.973
bonds (distance) P-C4' energy: -97.856
flat angles C4'-P-C4' energy: -128.202
flat angles P-C4'-P energy: -99.591
tors. eta vs tors. theta energy: -219.625
Dist. restrs. and SS energy: 6.411 (S_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: 314
Temperature: 1.250000
Total energy: -2244.838490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.838490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.112368 (E_RNA)
where:
Base-Base interactions energy: -1634.140
where: short stacking energy: -655.603
Base-Backbone interact. energy: 0.312
local terms energy: -624.285192
where:
bonds (distance) C4'-P energy: -99.262
bonds (distance) P-C4' energy: -93.233
flat angles C4'-P-C4' energy: -144.773
flat angles P-C4'-P energy: -91.733
tors. eta vs tors. theta energy: -195.284
Dist. restrs. and SS energy: 13.274 (S_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: 314
Temperature: 1.300000
Total energy: -2234.562676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.562676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.666158 (E_RNA)
where:
Base-Base interactions energy: -1588.165
where: short stacking energy: -647.099
Base-Backbone interact. energy: 0.550
local terms energy: -659.051540
where:
bonds (distance) C4'-P energy: -91.555
bonds (distance) P-C4' energy: -131.653
flat angles C4'-P-C4' energy: -131.094
flat angles P-C4'-P energy: -99.696
tors. eta vs tors. theta energy: -205.053
Dist. restrs. and SS energy: 12.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -2114.133498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.133498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.206099 (E_RNA)
where:
Base-Base interactions energy: -1526.162
where: short stacking energy: -629.560
Base-Backbone interact. energy: -0.566
local terms energy: -599.478306
where:
bonds (distance) C4'-P energy: -80.120
bonds (distance) P-C4' energy: -99.055
flat angles C4'-P-C4' energy: -134.894
flat angles P-C4'-P energy: -89.221
tors. eta vs tors. theta energy: -196.188
Dist. restrs. and SS energy: 12.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2808.683555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.683555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.053226 (E_RNA)
where:
Base-Base interactions energy: -2007.294
where: short stacking energy: -802.915
Base-Backbone interact. energy: -2.138
local terms energy: -806.621424
where:
bonds (distance) C4'-P energy: -134.306
bonds (distance) P-C4' energy: -142.615
flat angles C4'-P-C4' energy: -153.475
flat angles P-C4'-P energy: -122.425
tors. eta vs tors. theta energy: -253.799
Dist. restrs. and SS energy: 7.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2701.104662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.104662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.004839 (E_RNA)
where:
Base-Base interactions energy: -1896.365
where: short stacking energy: -781.025
Base-Backbone interact. energy: -1.588
local terms energy: -807.052134
where:
bonds (distance) C4'-P energy: -144.934
bonds (distance) P-C4' energy: -139.967
flat angles C4'-P-C4' energy: -161.526
flat angles P-C4'-P energy: -112.993
tors. eta vs tors. theta energy: -247.632
Dist. restrs. and SS energy: 3.900 (S_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: 315
Temperature: 1.000000
Total energy: -2649.301049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.301049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.707902 (E_RNA)
where:
Base-Base interactions energy: -1887.224
where: short stacking energy: -794.325
Base-Backbone interact. energy: -1.349
local terms energy: -775.135296
where:
bonds (distance) C4'-P energy: -122.417
bonds (distance) P-C4' energy: -137.524
flat angles C4'-P-C4' energy: -165.230
flat angles P-C4'-P energy: -116.776
tors. eta vs tors. theta energy: -233.188
Dist. restrs. and SS energy: 14.407 (S_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: 315
Temperature: 1.050000
Total energy: -2554.624471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.624471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.691174 (E_RNA)
where:
Base-Base interactions energy: -1812.370
where: short stacking energy: -728.613
Base-Backbone interact. energy: -2.945
local terms energy: -750.375373
where:
bonds (distance) C4'-P energy: -140.199
bonds (distance) P-C4' energy: -118.743
flat angles C4'-P-C4' energy: -159.837
flat angles P-C4'-P energy: -107.536
tors. eta vs tors. theta energy: -224.060
Dist. restrs. and SS energy: 11.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2428.806269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.806269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.787278 (E_RNA)
where:
Base-Base interactions energy: -1714.844
where: short stacking energy: -694.270
Base-Backbone interact. energy: -2.095
local terms energy: -718.848843
where:
bonds (distance) C4'-P energy: -136.717
bonds (distance) P-C4' energy: -127.290
flat angles C4'-P-C4' energy: -155.458
flat angles P-C4'-P energy: -91.925
tors. eta vs tors. theta energy: -207.459
Dist. restrs. and SS energy: 6.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2374.764192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.764192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.460099 (E_RNA)
where:
Base-Base interactions energy: -1686.279
where: short stacking energy: -681.527
Base-Backbone interact. energy: -2.047
local terms energy: -696.133836
where:
bonds (distance) C4'-P energy: -119.019
bonds (distance) P-C4' energy: -119.148
flat angles C4'-P-C4' energy: -156.499
flat angles P-C4'-P energy: -85.449
tors. eta vs tors. theta energy: -216.019
Dist. restrs. and SS energy: 9.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2357.523617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.523617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.351217 (E_RNA)
where:
Base-Base interactions energy: -1683.424
where: short stacking energy: -680.953
Base-Backbone interact. energy: -4.371
local terms energy: -680.555827
where:
bonds (distance) C4'-P energy: -108.784
bonds (distance) P-C4' energy: -117.742
flat angles C4'-P-C4' energy: -143.713
flat angles P-C4'-P energy: -88.228
tors. eta vs tors. theta energy: -222.088
Dist. restrs. and SS energy: 10.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2234.141498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.141498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.590343 (E_RNA)
where:
Base-Base interactions energy: -1602.208
where: short stacking energy: -657.216
Base-Backbone interact. energy: -0.952
local terms energy: -641.430892
where:
bonds (distance) C4'-P energy: -113.700
bonds (distance) P-C4' energy: -115.552
flat angles C4'-P-C4' energy: -127.982
flat angles P-C4'-P energy: -78.938
tors. eta vs tors. theta energy: -205.258
Dist. restrs. and SS energy: 10.449 (S_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: 315
Temperature: 1.300000
Total energy: -2233.055891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.055891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.060585 (E_RNA)
where:
Base-Base interactions energy: -1591.119
where: short stacking energy: -634.036
Base-Backbone interact. energy: 1.010
local terms energy: -655.951547
where:
bonds (distance) C4'-P energy: -109.214
bonds (distance) P-C4' energy: -127.483
flat angles C4'-P-C4' energy: -132.935
flat angles P-C4'-P energy: -85.214
tors. eta vs tors. theta energy: -201.105
Dist. restrs. and SS energy: 13.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -2131.310212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.310212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.117313 (E_RNA)
where:
Base-Base interactions energy: -1534.767
where: short stacking energy: -597.240
Base-Backbone interact. energy: -1.515
local terms energy: -606.835908
where:
bonds (distance) C4'-P energy: -94.894
bonds (distance) P-C4' energy: -110.086
flat angles C4'-P-C4' energy: -136.323
flat angles P-C4'-P energy: -74.560
tors. eta vs tors. theta energy: -190.973
Dist. restrs. and SS energy: 11.807 (S_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: -2793.795779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.795779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.814285 (E_RNA)
where:
Base-Base interactions energy: -1986.841
where: short stacking energy: -805.168
Base-Backbone interact. energy: -2.896
local terms energy: -812.077265
where:
bonds (distance) C4'-P energy: -129.642
bonds (distance) P-C4' energy: -144.204
flat angles C4'-P-C4' energy: -166.844
flat angles P-C4'-P energy: -123.375
tors. eta vs tors. theta energy: -248.013
Dist. restrs. and SS energy: 8.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2706.751721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.751721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.184388 (E_RNA)
where:
Base-Base interactions energy: -1898.516
where: short stacking energy: -786.472
Base-Backbone interact. energy: -1.180
local terms energy: -810.488936
where:
bonds (distance) C4'-P energy: -137.257
bonds (distance) P-C4' energy: -145.453
flat angles C4'-P-C4' energy: -171.630
flat angles P-C4'-P energy: -112.000
tors. eta vs tors. theta energy: -244.150
Dist. restrs. and SS energy: 3.433 (S_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: 316
Temperature: 1.000000
Total energy: -2612.701283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.701283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.803799 (E_RNA)
where:
Base-Base interactions energy: -1863.680
where: short stacking energy: -761.117
Base-Backbone interact. energy: -2.978
local terms energy: -756.146564
where:
bonds (distance) C4'-P energy: -137.664
bonds (distance) P-C4' energy: -130.632
flat angles C4'-P-C4' energy: -156.289
flat angles P-C4'-P energy: -93.490
tors. eta vs tors. theta energy: -238.071
Dist. restrs. and SS energy: 10.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2582.534571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.534571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.300564 (E_RNA)
where:
Base-Base interactions energy: -1825.781
where: short stacking energy: -747.955
Base-Backbone interact. energy: -1.548
local terms energy: -766.971716
where:
bonds (distance) C4'-P energy: -131.658
bonds (distance) P-C4' energy: -135.843
flat angles C4'-P-C4' energy: -152.687
flat angles P-C4'-P energy: -109.291
tors. eta vs tors. theta energy: -237.493
Dist. restrs. and SS energy: 11.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2411.074317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.074317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.396886 (E_RNA)
where:
Base-Base interactions energy: -1689.255
where: short stacking energy: -698.870
Base-Backbone interact. energy: 0.207
local terms energy: -733.349596
where:
bonds (distance) C4'-P energy: -134.922
bonds (distance) P-C4' energy: -130.517
flat angles C4'-P-C4' energy: -150.497
flat angles P-C4'-P energy: -99.795
tors. eta vs tors. theta energy: -217.618
Dist. restrs. and SS energy: 11.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2373.331086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.331086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.066869 (E_RNA)
where:
Base-Base interactions energy: -1677.582
where: short stacking energy: -671.048
Base-Backbone interact. energy: -0.806
local terms energy: -705.679194
where:
bonds (distance) C4'-P energy: -126.933
bonds (distance) P-C4' energy: -110.666
flat angles C4'-P-C4' energy: -154.161
flat angles P-C4'-P energy: -96.101
tors. eta vs tors. theta energy: -217.819
Dist. restrs. and SS energy: 10.736 (S_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: 316
Temperature: 1.200000
Total energy: -2345.896648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.896648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.904138 (E_RNA)
where:
Base-Base interactions energy: -1667.632
where: short stacking energy: -672.380
Base-Backbone interact. energy: 0.420
local terms energy: -689.691574
where:
bonds (distance) C4'-P energy: -126.201
bonds (distance) P-C4' energy: -128.680
flat angles C4'-P-C4' energy: -113.628
flat angles P-C4'-P energy: -106.619
tors. eta vs tors. theta energy: -214.563
Dist. restrs. and SS energy: 11.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2244.918724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.918724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.077879 (E_RNA)
where:
Base-Base interactions energy: -1597.103
where: short stacking energy: -653.726
Base-Backbone interact. energy: -2.346
local terms energy: -652.628153
where:
bonds (distance) C4'-P energy: -107.628
bonds (distance) P-C4' energy: -120.533
flat angles C4'-P-C4' energy: -145.263
flat angles P-C4'-P energy: -83.183
tors. eta vs tors. theta energy: -196.021
Dist. restrs. and SS energy: 7.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -2120.198286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.198286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.147642 (E_RNA)
where:
Base-Base interactions energy: -1502.830
where: short stacking energy: -607.730
Base-Backbone interact. energy: -3.063
local terms energy: -631.254328
where:
bonds (distance) C4'-P energy: -97.606
bonds (distance) P-C4' energy: -107.670
flat angles C4'-P-C4' energy: -132.822
flat angles P-C4'-P energy: -103.477
tors. eta vs tors. theta energy: -189.680
Dist. restrs. and SS energy: 16.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -2132.207132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.207132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.918326 (E_RNA)
where:
Base-Base interactions energy: -1563.268
where: short stacking energy: -601.868
Base-Backbone interact. energy: -4.327
local terms energy: -572.323395
where:
bonds (distance) C4'-P energy: -89.628
bonds (distance) P-C4' energy: -95.948
flat angles C4'-P-C4' energy: -130.519
flat angles P-C4'-P energy: -81.053
tors. eta vs tors. theta energy: -175.175
Dist. restrs. and SS energy: 7.711 (S_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: -2795.793867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.793867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.981911 (E_RNA)
where:
Base-Base interactions energy: -1987.385
where: short stacking energy: -798.885
Base-Backbone interact. energy: -2.026
local terms energy: -814.571521
where:
bonds (distance) C4'-P energy: -132.484
bonds (distance) P-C4' energy: -149.923
flat angles C4'-P-C4' energy: -164.947
flat angles P-C4'-P energy: -116.206
tors. eta vs tors. theta energy: -251.012
Dist. restrs. and SS energy: 8.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2681.535761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.535761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.263432 (E_RNA)
where:
Base-Base interactions energy: -1892.551
where: short stacking energy: -770.214
Base-Backbone interact. energy: -1.973
local terms energy: -800.740038
where:
bonds (distance) C4'-P energy: -137.647
bonds (distance) P-C4' energy: -135.379
flat angles C4'-P-C4' energy: -169.009
flat angles P-C4'-P energy: -115.831
tors. eta vs tors. theta energy: -242.874
Dist. restrs. and SS energy: 13.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2639.600098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.600098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.792079 (E_RNA)
where:
Base-Base interactions energy: -1851.814
where: short stacking energy: -757.706
Base-Backbone interact. energy: -1.443
local terms energy: -791.535403
where:
bonds (distance) C4'-P energy: -127.480
bonds (distance) P-C4' energy: -142.834
flat angles C4'-P-C4' energy: -156.581
flat angles P-C4'-P energy: -115.977
tors. eta vs tors. theta energy: -248.664
Dist. restrs. and SS energy: 5.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2571.112851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.112851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.678159 (E_RNA)
where:
Base-Base interactions energy: -1812.247
where: short stacking energy: -747.836
Base-Backbone interact. energy: -2.915
local terms energy: -768.516591
where:
bonds (distance) C4'-P energy: -127.160
bonds (distance) P-C4' energy: -143.791
flat angles C4'-P-C4' energy: -165.928
flat angles P-C4'-P energy: -102.702
tors. eta vs tors. theta energy: -228.935
Dist. restrs. and SS energy: 12.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2458.062632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.062632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.586458 (E_RNA)
where:
Base-Base interactions energy: -1739.136
where: short stacking energy: -715.216
Base-Backbone interact. energy: -2.810
local terms energy: -718.640367
where:
bonds (distance) C4'-P energy: -112.630
bonds (distance) P-C4' energy: -123.243
flat angles C4'-P-C4' energy: -156.520
flat angles P-C4'-P energy: -107.495
tors. eta vs tors. theta energy: -218.753
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2323.073507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.073507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.438402 (E_RNA)
where:
Base-Base interactions energy: -1632.065
where: short stacking energy: -666.107
Base-Backbone interact. energy: -0.314
local terms energy: -700.058708
where:
bonds (distance) C4'-P energy: -132.433
bonds (distance) P-C4' energy: -128.589
flat angles C4'-P-C4' energy: -141.533
flat angles P-C4'-P energy: -89.211
tors. eta vs tors. theta energy: -208.293
Dist. restrs. and SS energy: 9.365 (S_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: 317
Temperature: 1.200000
Total energy: -2362.413445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.413445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.695367 (E_RNA)
where:
Base-Base interactions energy: -1696.673
where: short stacking energy: -690.255
Base-Backbone interact. energy: 1.765
local terms energy: -676.787104
where:
bonds (distance) C4'-P energy: -97.163
bonds (distance) P-C4' energy: -123.171
flat angles C4'-P-C4' energy: -137.769
flat angles P-C4'-P energy: -103.989
tors. eta vs tors. theta energy: -214.695
Dist. restrs. and SS energy: 9.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2246.378991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.378991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.461719 (E_RNA)
where:
Base-Base interactions energy: -1605.352
where: short stacking energy: -631.961
Base-Backbone interact. energy: -0.499
local terms energy: -652.610522
where:
bonds (distance) C4'-P energy: -103.219
bonds (distance) P-C4' energy: -122.319
flat angles C4'-P-C4' energy: -134.621
flat angles P-C4'-P energy: -87.802
tors. eta vs tors. theta energy: -204.650
Dist. restrs. and SS energy: 12.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -2118.815913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.815913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.254625 (E_RNA)
where:
Base-Base interactions energy: -1508.733
where: short stacking energy: -604.981
Base-Backbone interact. energy: -1.321
local terms energy: -628.199991
where:
bonds (distance) C4'-P energy: -112.315
bonds (distance) P-C4' energy: -123.468
flat angles C4'-P-C4' energy: -126.600
flat angles P-C4'-P energy: -90.442
tors. eta vs tors. theta energy: -175.376
Dist. restrs. and SS energy: 19.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -2092.249290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.249290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.618680 (E_RNA)
where:
Base-Base interactions energy: -1501.883
where: short stacking energy: -583.448
Base-Backbone interact. energy: 5.006
local terms energy: -605.741440
where:
bonds (distance) C4'-P energy: -106.289
bonds (distance) P-C4' energy: -125.594
flat angles C4'-P-C4' energy: -115.097
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -178.561
Dist. restrs. and SS energy: 10.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2792.272181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.272181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.575408 (E_RNA)
where:
Base-Base interactions energy: -1991.818
where: short stacking energy: -806.853
Base-Backbone interact. energy: -1.866
local terms energy: -804.891038
where:
bonds (distance) C4'-P energy: -142.536
bonds (distance) P-C4' energy: -131.906
flat angles C4'-P-C4' energy: -169.146
flat angles P-C4'-P energy: -111.074
tors. eta vs tors. theta energy: -250.229
Dist. restrs. and SS energy: 6.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2681.399388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.399388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.526311 (E_RNA)
where:
Base-Base interactions energy: -1894.475
where: short stacking energy: -767.291
Base-Backbone interact. energy: -1.567
local terms energy: -797.484455
where:
bonds (distance) C4'-P energy: -151.861
bonds (distance) P-C4' energy: -135.779
flat angles C4'-P-C4' energy: -157.893
flat angles P-C4'-P energy: -118.102
tors. eta vs tors. theta energy: -233.850
Dist. restrs. and SS energy: 12.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2600.794858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.794858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.686846 (E_RNA)
where:
Base-Base interactions energy: -1843.325
where: short stacking energy: -742.812
Base-Backbone interact. energy: -2.410
local terms energy: -765.952542
where:
bonds (distance) C4'-P energy: -135.544
bonds (distance) P-C4' energy: -145.079
flat angles C4'-P-C4' energy: -144.884
flat angles P-C4'-P energy: -106.181
tors. eta vs tors. theta energy: -234.265
Dist. restrs. and SS energy: 10.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2599.190183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.190183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.633318 (E_RNA)
where:
Base-Base interactions energy: -1858.832
where: short stacking energy: -763.609
Base-Backbone interact. energy: -2.271
local terms energy: -747.530100
where:
bonds (distance) C4'-P energy: -110.161
bonds (distance) P-C4' energy: -111.348
flat angles C4'-P-C4' energy: -164.868
flat angles P-C4'-P energy: -115.310
tors. eta vs tors. theta energy: -245.843
Dist. restrs. and SS energy: 9.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2441.613675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.613675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.090497 (E_RNA)
where:
Base-Base interactions energy: -1728.029
where: short stacking energy: -699.833
Base-Backbone interact. energy: -4.253
local terms energy: -712.808267
where:
bonds (distance) C4'-P energy: -123.235
bonds (distance) P-C4' energy: -130.618
flat angles C4'-P-C4' energy: -145.093
flat angles P-C4'-P energy: -92.655
tors. eta vs tors. theta energy: -221.208
Dist. restrs. and SS energy: 3.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2365.085679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.085679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.782224 (E_RNA)
where:
Base-Base interactions energy: -1675.110
where: short stacking energy: -703.980
Base-Backbone interact. energy: -2.432
local terms energy: -693.240501
where:
bonds (distance) C4'-P energy: -115.037
bonds (distance) P-C4' energy: -118.107
flat angles C4'-P-C4' energy: -157.209
flat angles P-C4'-P energy: -95.116
tors. eta vs tors. theta energy: -207.771
Dist. restrs. and SS energy: 5.697 (S_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: 318
Temperature: 1.200000
Total energy: -2383.290835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.290835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.227271 (E_RNA)
where:
Base-Base interactions energy: -1711.781
where: short stacking energy: -696.057
Base-Backbone interact. energy: -2.198
local terms energy: -679.248753
where:
bonds (distance) C4'-P energy: -104.742
bonds (distance) P-C4' energy: -106.026
flat angles C4'-P-C4' energy: -152.298
flat angles P-C4'-P energy: -94.045
tors. eta vs tors. theta energy: -222.138
Dist. restrs. and SS energy: 9.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2233.015264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.015264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.791842 (E_RNA)
where:
Base-Base interactions energy: -1603.789
where: short stacking energy: -632.400
Base-Backbone interact. energy: -2.776
local terms energy: -637.226769
where:
bonds (distance) C4'-P energy: -113.519
bonds (distance) P-C4' energy: -114.909
flat angles C4'-P-C4' energy: -132.022
flat angles P-C4'-P energy: -88.637
tors. eta vs tors. theta energy: -188.139
Dist. restrs. and SS energy: 10.777 (S_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: 318
Temperature: 1.300000
Total energy: -2160.490384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.490384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.131816 (E_RNA)
where:
Base-Base interactions energy: -1558.458
where: short stacking energy: -590.373
Base-Backbone interact. energy: 6.499
local terms energy: -613.171955
where:
bonds (distance) C4'-P energy: -97.440
bonds (distance) P-C4' energy: -121.626
flat angles C4'-P-C4' energy: -132.798
flat angles P-C4'-P energy: -81.220
tors. eta vs tors. theta energy: -180.088
Dist. restrs. and SS energy: 4.641 (S_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: 318
Temperature: 1.350000
Total energy: -2081.478447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.478447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.025801 (E_RNA)
where:
Base-Base interactions energy: -1474.238
where: short stacking energy: -583.779
Base-Backbone interact. energy: -0.416
local terms energy: -614.371748
where:
bonds (distance) C4'-P energy: -118.586
bonds (distance) P-C4' energy: -118.862
flat angles C4'-P-C4' energy: -128.327
flat angles P-C4'-P energy: -73.014
tors. eta vs tors. theta energy: -175.582
Dist. restrs. and SS energy: 7.547 (S_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: -2811.977087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.977087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.092938 (E_RNA)
where:
Base-Base interactions energy: -1985.459
where: short stacking energy: -825.208
Base-Backbone interact. energy: 0.032
local terms energy: -833.666291
where:
bonds (distance) C4'-P energy: -136.967
bonds (distance) P-C4' energy: -153.635
flat angles C4'-P-C4' energy: -166.476
flat angles P-C4'-P energy: -120.655
tors. eta vs tors. theta energy: -255.933
Dist. restrs. and SS energy: 7.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2680.958885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.958885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.315195 (E_RNA)
where:
Base-Base interactions energy: -1921.003
where: short stacking energy: -790.092
Base-Backbone interact. energy: -2.250
local terms energy: -771.061506
where:
bonds (distance) C4'-P energy: -126.721
bonds (distance) P-C4' energy: -124.066
flat angles C4'-P-C4' energy: -162.041
flat angles P-C4'-P energy: -115.423
tors. eta vs tors. theta energy: -242.811
Dist. restrs. and SS energy: 13.356 (S_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: 319
Temperature: 1.000000
Total energy: -2596.699735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.699735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.035938 (E_RNA)
where:
Base-Base interactions energy: -1841.983
where: short stacking energy: -760.285
Base-Backbone interact. energy: -2.179
local terms energy: -763.873995
where:
bonds (distance) C4'-P energy: -137.087
bonds (distance) P-C4' energy: -124.538
flat angles C4'-P-C4' energy: -160.259
flat angles P-C4'-P energy: -111.219
tors. eta vs tors. theta energy: -230.772
Dist. restrs. and SS energy: 11.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2588.428516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.428516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.545721 (E_RNA)
where:
Base-Base interactions energy: -1846.831
where: short stacking energy: -754.111
Base-Backbone interact. energy: -2.618
local terms energy: -746.096848
where:
bonds (distance) C4'-P energy: -120.421
bonds (distance) P-C4' energy: -134.609
flat angles C4'-P-C4' energy: -158.188
flat angles P-C4'-P energy: -94.710
tors. eta vs tors. theta energy: -238.169
Dist. restrs. and SS energy: 7.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2459.717833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.717833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.072772 (E_RNA)
where:
Base-Base interactions energy: -1765.501
where: short stacking energy: -725.928
Base-Backbone interact. energy: -3.121
local terms energy: -699.450339
where:
bonds (distance) C4'-P energy: -112.533
bonds (distance) P-C4' energy: -118.791
flat angles C4'-P-C4' energy: -146.372
flat angles P-C4'-P energy: -99.247
tors. eta vs tors. theta energy: -222.507
Dist. restrs. and SS energy: 8.355 (S_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: 319
Temperature: 1.150000
Total energy: -2465.921981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.921981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.230791 (E_RNA)
where:
Base-Base interactions energy: -1757.270
where: short stacking energy: -705.716
Base-Backbone interact. energy: -3.165
local terms energy: -714.796750
where:
bonds (distance) C4'-P energy: -113.028
bonds (distance) P-C4' energy: -131.075
flat angles C4'-P-C4' energy: -156.092
flat angles P-C4'-P energy: -96.063
tors. eta vs tors. theta energy: -218.538
Dist. restrs. and SS energy: 9.309 (S_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: 319
Temperature: 1.200000
Total energy: -2295.334492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.334492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.065180 (E_RNA)
where:
Base-Base interactions energy: -1659.954
where: short stacking energy: -689.446
Base-Backbone interact. energy: 1.514
local terms energy: -648.625246
where:
bonds (distance) C4'-P energy: -102.740
bonds (distance) P-C4' energy: -92.737
flat angles C4'-P-C4' energy: -148.958
flat angles P-C4'-P energy: -93.836
tors. eta vs tors. theta energy: -210.354
Dist. restrs. and SS energy: 11.731 (S_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: 319
Temperature: 1.250000
Total energy: -2271.627038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.627038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.009147 (E_RNA)
where:
Base-Base interactions energy: -1640.869
where: short stacking energy: -683.450
Base-Backbone interact. energy: 8.138
local terms energy: -648.278301
where:
bonds (distance) C4'-P energy: -111.108
bonds (distance) P-C4' energy: -109.209
flat angles C4'-P-C4' energy: -121.256
flat angles P-C4'-P energy: -92.360
tors. eta vs tors. theta energy: -214.344
Dist. restrs. and SS energy: 9.382 (S_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: 319
Temperature: 1.300000
Total energy: -2183.453440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.453440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.290288 (E_RNA)
where:
Base-Base interactions energy: -1560.581
where: short stacking energy: -646.155
Base-Backbone interact. energy: 1.458
local terms energy: -640.167049
where:
bonds (distance) C4'-P energy: -107.323
bonds (distance) P-C4' energy: -112.173
flat angles C4'-P-C4' energy: -144.302
flat angles P-C4'-P energy: -85.646
tors. eta vs tors. theta energy: -190.723
Dist. restrs. and SS energy: 15.837 (S_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: 319
Temperature: 1.350000
Total energy: -2069.222796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.222796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.106983 (E_RNA)
where:
Base-Base interactions energy: -1513.564
where: short stacking energy: -593.373
Base-Backbone interact. energy: -0.510
local terms energy: -566.033071
where:
bonds (distance) C4'-P energy: -106.410
bonds (distance) P-C4' energy: -108.248
flat angles C4'-P-C4' energy: -113.331
flat angles P-C4'-P energy: -72.817
tors. eta vs tors. theta energy: -165.226
Dist. restrs. and SS energy: 10.884 (S_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: -2802.466302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.466302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.716388 (E_RNA)
where:
Base-Base interactions energy: -2000.690
where: short stacking energy: -820.782
Base-Backbone interact. energy: -1.028
local terms energy: -807.998811
where:
bonds (distance) C4'-P energy: -138.138
bonds (distance) P-C4' energy: -120.499
flat angles C4'-P-C4' energy: -169.980
flat angles P-C4'-P energy: -122.731
tors. eta vs tors. theta energy: -256.651
Dist. restrs. and SS energy: 7.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2690.050897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.050897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.002461 (E_RNA)
where:
Base-Base interactions energy: -1911.636
where: short stacking energy: -793.240
Base-Backbone interact. energy: 1.331
local terms energy: -790.697295
where:
bonds (distance) C4'-P energy: -132.678
bonds (distance) P-C4' energy: -143.453
flat angles C4'-P-C4' energy: -158.378
flat angles P-C4'-P energy: -114.399
tors. eta vs tors. theta energy: -241.789
Dist. restrs. and SS energy: 10.952 (S_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: 320
Temperature: 1.000000
Total energy: -2615.823315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.823315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.824819 (E_RNA)
where:
Base-Base interactions energy: -1849.211
where: short stacking energy: -768.857
Base-Backbone interact. energy: -1.515
local terms energy: -775.098274
where:
bonds (distance) C4'-P energy: -142.125
bonds (distance) P-C4' energy: -130.868
flat angles C4'-P-C4' energy: -156.449
flat angles P-C4'-P energy: -106.925
tors. eta vs tors. theta energy: -238.731
Dist. restrs. and SS energy: 10.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2618.454627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.454627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.426410 (E_RNA)
where:
Base-Base interactions energy: -1855.525
where: short stacking energy: -769.053
Base-Backbone interact. energy: -2.806
local terms energy: -770.095589
where:
bonds (distance) C4'-P energy: -134.493
bonds (distance) P-C4' energy: -113.324
flat angles C4'-P-C4' energy: -171.634
flat angles P-C4'-P energy: -115.144
tors. eta vs tors. theta energy: -235.501
Dist. restrs. and SS energy: 9.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2477.606128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.606128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.215464 (E_RNA)
where:
Base-Base interactions energy: -1782.635
where: short stacking energy: -701.300
Base-Backbone interact. energy: -1.940
local terms energy: -700.640853
where:
bonds (distance) C4'-P energy: -120.114
bonds (distance) P-C4' energy: -113.133
flat angles C4'-P-C4' energy: -143.182
flat angles P-C4'-P energy: -104.786
tors. eta vs tors. theta energy: -219.426
Dist. restrs. and SS energy: 7.609 (S_DIST_RNA)
chem. 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: -2380.998701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.998701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.252207 (E_RNA)
where:
Base-Base interactions energy: -1713.533
where: short stacking energy: -708.674
Base-Backbone interact. energy: 0.146
local terms energy: -677.865471
where:
bonds (distance) C4'-P energy: -118.873
bonds (distance) P-C4' energy: -108.674
flat angles C4'-P-C4' energy: -154.191
flat angles P-C4'-P energy: -84.502
tors. eta vs tors. theta energy: -211.625
Dist. restrs. and SS energy: 10.254 (S_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: 320
Temperature: 1.200000
Total energy: -2352.298108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.298108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.527974 (E_RNA)
where:
Base-Base interactions energy: -1678.127
where: short stacking energy: -689.487
Base-Backbone interact. energy: -3.123
local terms energy: -680.278287
where:
bonds (distance) C4'-P energy: -110.830
bonds (distance) P-C4' energy: -118.002
flat angles C4'-P-C4' energy: -140.020
flat angles P-C4'-P energy: -103.774
tors. eta vs tors. theta energy: -207.652
Dist. restrs. and SS energy: 9.230 (S_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: -2268.535923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.535923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.916246 (E_RNA)
where:
Base-Base interactions energy: -1595.829
where: short stacking energy: -643.363
Base-Backbone interact. energy: 0.370
local terms energy: -686.456441
where:
bonds (distance) C4'-P energy: -124.455
bonds (distance) P-C4' energy: -112.702
flat angles C4'-P-C4' energy: -139.634
flat angles P-C4'-P energy: -96.064
tors. eta vs tors. theta energy: -213.602
Dist. restrs. and SS energy: 13.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -2127.805071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.805071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.892434 (E_RNA)
where:
Base-Base interactions energy: -1529.096
where: short stacking energy: -601.511
Base-Backbone interact. energy: -0.487
local terms energy: -610.309165
where:
bonds (distance) C4'-P energy: -94.982
bonds (distance) P-C4' energy: -124.907
flat angles C4'-P-C4' energy: -131.292
flat angles P-C4'-P energy: -84.226
tors. eta vs tors. theta energy: -174.902
Dist. restrs. and SS energy: 12.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -2067.273703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.273703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.504909 (E_RNA)
where:
Base-Base interactions energy: -1489.199
where: short stacking energy: -592.446
Base-Backbone interact. energy: 5.869
local terms energy: -596.175560
where:
bonds (distance) C4'-P energy: -91.281
bonds (distance) P-C4' energy: -124.756
flat angles C4'-P-C4' energy: -132.103
flat angles P-C4'-P energy: -89.348
tors. eta vs tors. theta energy: -158.688
Dist. restrs. and SS energy: 12.231 (S_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: -2800.074328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.074328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.574683 (E_RNA)
where:
Base-Base interactions energy: -1976.891
where: short stacking energy: -813.806
Base-Backbone interact. energy: -2.108
local terms energy: -828.575666
where:
bonds (distance) C4'-P energy: -140.958
bonds (distance) P-C4' energy: -146.694
flat angles C4'-P-C4' energy: -174.071
flat angles P-C4'-P energy: -113.918
tors. eta vs tors. theta energy: -252.934
Dist. restrs. and SS energy: 7.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2706.814138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.814138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.739583 (E_RNA)
where:
Base-Base interactions energy: -1933.454
where: short stacking energy: -798.855
Base-Backbone interact. energy: -2.183
local terms energy: -785.102383
where:
bonds (distance) C4'-P energy: -119.559
bonds (distance) P-C4' energy: -144.174
flat angles C4'-P-C4' energy: -166.065
flat angles P-C4'-P energy: -107.666
tors. eta vs tors. theta energy: -247.637
Dist. restrs. and SS energy: 13.925 (S_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: 321
Temperature: 1.000000
Total energy: -2620.192705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.192705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.442995 (E_RNA)
where:
Base-Base interactions energy: -1850.552
where: short stacking energy: -754.905
Base-Backbone interact. energy: -1.696
local terms energy: -778.195248
where:
bonds (distance) C4'-P energy: -132.252
bonds (distance) P-C4' energy: -144.159
flat angles C4'-P-C4' energy: -158.099
flat angles P-C4'-P energy: -111.328
tors. eta vs tors. theta energy: -232.357
Dist. restrs. and SS energy: 10.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2594.195729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.195729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.684101 (E_RNA)
where:
Base-Base interactions energy: -1831.868
where: short stacking energy: -759.367
Base-Backbone interact. energy: -1.277
local terms energy: -766.539939
where:
bonds (distance) C4'-P energy: -127.256
bonds (distance) P-C4' energy: -123.418
flat angles C4'-P-C4' energy: -166.475
flat angles P-C4'-P energy: -103.093
tors. eta vs tors. theta energy: -246.298
Dist. restrs. and SS energy: 5.488 (S_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: 321
Temperature: 1.100000
Total energy: -2534.349758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.349758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.492936 (E_RNA)
where:
Base-Base interactions energy: -1799.662
where: short stacking energy: -729.650
Base-Backbone interact. energy: 3.520
local terms energy: -743.350938
where:
bonds (distance) C4'-P energy: -116.720
bonds (distance) P-C4' energy: -136.677
flat angles C4'-P-C4' energy: -160.034
flat angles P-C4'-P energy: -107.173
tors. eta vs tors. theta energy: -222.747
Dist. restrs. and SS energy: 5.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2417.356300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.356300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.313124 (E_RNA)
where:
Base-Base interactions energy: -1733.017
where: short stacking energy: -685.265
Base-Backbone interact. energy: -2.403
local terms energy: -689.892782
where:
bonds (distance) C4'-P energy: -123.658
bonds (distance) P-C4' energy: -116.741
flat angles C4'-P-C4' energy: -143.382
flat angles P-C4'-P energy: -91.772
tors. eta vs tors. theta energy: -214.339
Dist. restrs. and SS energy: 7.957 (S_DIST_RNA)
chem. 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: -2350.740503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.740503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.657904 (E_RNA)
where:
Base-Base interactions energy: -1672.577
where: short stacking energy: -675.522
Base-Backbone interact. energy: 2.651
local terms energy: -697.731904
where:
bonds (distance) C4'-P energy: -122.444
bonds (distance) P-C4' energy: -120.745
flat angles C4'-P-C4' energy: -161.968
flat angles P-C4'-P energy: -81.368
tors. eta vs tors. theta energy: -211.207
Dist. restrs. and SS energy: 16.917 (S_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: -2195.266200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.266200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.166897 (E_RNA)
where:
Base-Base interactions energy: -1562.009
where: short stacking energy: -633.008
Base-Backbone interact. energy: 4.838
local terms energy: -648.995285
where:
bonds (distance) C4'-P energy: -103.080
bonds (distance) P-C4' energy: -113.275
flat angles C4'-P-C4' energy: -145.520
flat angles P-C4'-P energy: -90.421
tors. eta vs tors. theta energy: -196.699
Dist. restrs. and SS energy: 10.901 (S_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: 321
Temperature: 1.300000
Total energy: -2152.130822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.130822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.490718 (E_RNA)
where:
Base-Base interactions energy: -1529.492
where: short stacking energy: -603.695
Base-Backbone interact. energy: -1.572
local terms energy: -629.425851
where:
bonds (distance) C4'-P energy: -116.203
bonds (distance) P-C4' energy: -108.469
flat angles C4'-P-C4' energy: -143.568
flat angles P-C4'-P energy: -77.085
tors. eta vs tors. theta energy: -184.101
Dist. restrs. and SS energy: 8.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -2063.128478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.128478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.572228 (E_RNA)
where:
Base-Base interactions energy: -1476.899
where: short stacking energy: -585.769
Base-Backbone interact. energy: 1.599
local terms energy: -604.271419
where:
bonds (distance) C4'-P energy: -111.887
bonds (distance) P-C4' energy: -124.763
flat angles C4'-P-C4' energy: -96.830
flat angles P-C4'-P energy: -108.946
tors. eta vs tors. theta energy: -161.845
Dist. restrs. and SS energy: 16.444 (S_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: -2832.965974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.965974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.220476 (E_RNA)
where:
Base-Base interactions energy: -1997.711
where: short stacking energy: -813.153
Base-Backbone interact. energy: -2.295
local terms energy: -840.213828
where:
bonds (distance) C4'-P energy: -150.887
bonds (distance) P-C4' energy: -147.014
flat angles C4'-P-C4' energy: -168.916
flat angles P-C4'-P energy: -119.790
tors. eta vs tors. theta energy: -253.608
Dist. restrs. and SS energy: 7.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2717.499235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.499235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.869148 (E_RNA)
where:
Base-Base interactions energy: -1911.724
where: short stacking energy: -776.914
Base-Backbone interact. energy: -2.635
local terms energy: -818.510110
where:
bonds (distance) C4'-P energy: -129.847
bonds (distance) P-C4' energy: -157.163
flat angles C4'-P-C4' energy: -163.470
flat angles P-C4'-P energy: -117.153
tors. eta vs tors. theta energy: -250.877
Dist. restrs. and SS energy: 15.370 (S_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: -2654.909226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.909226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.092270 (E_RNA)
where:
Base-Base interactions energy: -1876.262
where: short stacking energy: -776.307
Base-Backbone interact. energy: -2.330
local terms energy: -785.500108
where:
bonds (distance) C4'-P energy: -146.188
bonds (distance) P-C4' energy: -130.768
flat angles C4'-P-C4' energy: -166.863
flat angles P-C4'-P energy: -116.922
tors. eta vs tors. theta energy: -224.760
Dist. restrs. and SS energy: 9.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2588.061658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.061658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.843715 (E_RNA)
where:
Base-Base interactions energy: -1829.668
where: short stacking energy: -749.670
Base-Backbone interact. energy: -1.793
local terms energy: -762.383168
where:
bonds (distance) C4'-P energy: -120.894
bonds (distance) P-C4' energy: -132.747
flat angles C4'-P-C4' energy: -153.783
flat angles P-C4'-P energy: -115.405
tors. eta vs tors. theta energy: -239.555
Dist. restrs. and SS energy: 5.782 (S_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: 322
Temperature: 1.100000
Total energy: -2518.320175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.320175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.197921 (E_RNA)
where:
Base-Base interactions energy: -1776.625
where: short stacking energy: -708.173
Base-Backbone interact. energy: 0.915
local terms energy: -747.488276
where:
bonds (distance) C4'-P energy: -137.619
bonds (distance) P-C4' energy: -128.088
flat angles C4'-P-C4' energy: -159.418
flat angles P-C4'-P energy: -102.846
tors. eta vs tors. theta energy: -219.518
Dist. restrs. and SS energy: 4.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2400.615900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.615900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.021964 (E_RNA)
where:
Base-Base interactions energy: -1680.718
where: short stacking energy: -699.418
Base-Backbone interact. energy: 0.713
local terms energy: -728.016578
where:
bonds (distance) C4'-P energy: -131.053
bonds (distance) P-C4' energy: -132.569
flat angles C4'-P-C4' energy: -152.271
flat angles P-C4'-P energy: -102.843
tors. eta vs tors. theta energy: -209.280
Dist. restrs. and SS energy: 7.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2321.895795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.895795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.680406 (E_RNA)
where:
Base-Base interactions energy: -1639.729
where: short stacking energy: -657.897
Base-Backbone interact. energy: -1.114
local terms energy: -693.837376
where:
bonds (distance) C4'-P energy: -119.806
bonds (distance) P-C4' energy: -111.500
flat angles C4'-P-C4' energy: -143.541
flat angles P-C4'-P energy: -109.067
tors. eta vs tors. theta energy: -209.924
Dist. restrs. and SS energy: 12.785 (S_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: 322
Temperature: 1.250000
Total energy: -2257.205263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.205263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.213687 (E_RNA)
where:
Base-Base interactions energy: -1578.091
where: short stacking energy: -639.120
Base-Backbone interact. energy: 0.077
local terms energy: -689.200231
where:
bonds (distance) C4'-P energy: -117.706
bonds (distance) P-C4' energy: -124.016
flat angles C4'-P-C4' energy: -140.955
flat angles P-C4'-P energy: -98.828
tors. eta vs tors. theta energy: -207.695
Dist. restrs. and SS energy: 10.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -2155.506386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.506386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.354633 (E_RNA)
where:
Base-Base interactions energy: -1551.681
where: short stacking energy: -621.821
Base-Backbone interact. energy: -1.615
local terms energy: -619.058419
where:
bonds (distance) C4'-P energy: -113.160
bonds (distance) P-C4' energy: -107.153
flat angles C4'-P-C4' energy: -123.793
flat angles P-C4'-P energy: -84.423
tors. eta vs tors. theta energy: -190.529
Dist. restrs. and SS energy: 16.848 (S_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: 322
Temperature: 1.350000
Total energy: -2073.409262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.409262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.288090 (E_RNA)
where:
Base-Base interactions energy: -1521.731
where: short stacking energy: -604.178
Base-Backbone interact. energy: -1.906
local terms energy: -560.650907
where:
bonds (distance) C4'-P energy: -93.259
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -116.678
flat angles P-C4'-P energy: -64.553
tors. eta vs tors. theta energy: -176.302
Dist. restrs. and SS energy: 10.879 (S_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: -2835.513381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.513381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.559725 (E_RNA)
where:
Base-Base interactions energy: -2017.254
where: short stacking energy: -820.301
Base-Backbone interact. energy: -3.818
local terms energy: -822.487348
where:
bonds (distance) C4'-P energy: -146.132
bonds (distance) P-C4' energy: -140.302
flat angles C4'-P-C4' energy: -164.911
flat angles P-C4'-P energy: -120.848
tors. eta vs tors. theta energy: -250.294
Dist. restrs. and SS energy: 8.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2724.999485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.999485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.204274 (E_RNA)
where:
Base-Base interactions energy: -1934.505
where: short stacking energy: -802.065
Base-Backbone interact. energy: -2.668
local terms energy: -802.031070
where:
bonds (distance) C4'-P energy: -133.933
bonds (distance) P-C4' energy: -136.499
flat angles C4'-P-C4' energy: -169.815
flat angles P-C4'-P energy: -120.370
tors. eta vs tors. theta energy: -241.414
Dist. restrs. and SS energy: 14.205 (S_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: -2615.461318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.461318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.550697 (E_RNA)
where:
Base-Base interactions energy: -1830.183
where: short stacking energy: -778.144
Base-Backbone interact. energy: -1.272
local terms energy: -794.095366
where:
bonds (distance) C4'-P energy: -131.885
bonds (distance) P-C4' energy: -141.284
flat angles C4'-P-C4' energy: -161.358
flat angles P-C4'-P energy: -116.802
tors. eta vs tors. theta energy: -242.767
Dist. restrs. and SS energy: 10.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2577.270182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.270182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.167622 (E_RNA)
where:
Base-Base interactions energy: -1852.553
where: short stacking energy: -767.653
Base-Backbone interact. energy: -1.453
local terms energy: -730.161806
where:
bonds (distance) C4'-P energy: -111.411
bonds (distance) P-C4' energy: -120.010
flat angles C4'-P-C4' energy: -144.474
flat angles P-C4'-P energy: -108.898
tors. eta vs tors. theta energy: -245.369
Dist. restrs. and SS energy: 6.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2498.475477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.475477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.845793 (E_RNA)
where:
Base-Base interactions energy: -1773.053
where: short stacking energy: -691.505
Base-Backbone interact. energy: -1.219
local terms energy: -733.573293
where:
bonds (distance) C4'-P energy: -110.866
bonds (distance) P-C4' energy: -131.207
flat angles C4'-P-C4' energy: -146.362
flat angles P-C4'-P energy: -118.003
tors. eta vs tors. theta energy: -227.136
Dist. restrs. and SS energy: 9.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2360.066461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.066461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.313894 (E_RNA)
where:
Base-Base interactions energy: -1678.038
where: short stacking energy: -670.283
Base-Backbone interact. energy: -0.576
local terms energy: -687.699832
where:
bonds (distance) C4'-P energy: -129.720
bonds (distance) P-C4' energy: -117.484
flat angles C4'-P-C4' energy: -142.355
flat angles P-C4'-P energy: -84.192
tors. eta vs tors. theta energy: -213.949
Dist. restrs. and SS energy: 6.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2296.731528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.731528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.785110 (E_RNA)
where:
Base-Base interactions energy: -1617.280
where: short stacking energy: -658.036
Base-Backbone interact. energy: -0.312
local terms energy: -694.193679
where:
bonds (distance) C4'-P energy: -128.181
bonds (distance) P-C4' energy: -98.453
flat angles C4'-P-C4' energy: -159.749
flat angles P-C4'-P energy: -101.265
tors. eta vs tors. theta energy: -206.546
Dist. restrs. and SS energy: 15.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2236.661757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.661757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.767287 (E_RNA)
where:
Base-Base interactions energy: -1601.341
where: short stacking energy: -636.723
Base-Backbone interact. energy: 0.844
local terms energy: -642.270905
where:
bonds (distance) C4'-P energy: -109.189
bonds (distance) P-C4' energy: -139.704
flat angles C4'-P-C4' energy: -132.958
flat angles P-C4'-P energy: -68.336
tors. eta vs tors. theta energy: -192.084
Dist. restrs. and SS energy: 6.106 (S_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: 323
Temperature: 1.300000
Total energy: -2191.358595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.358595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.296762 (E_RNA)
where:
Base-Base interactions energy: -1562.949
where: short stacking energy: -629.936
Base-Backbone interact. energy: -1.236
local terms energy: -639.112013
where:
bonds (distance) C4'-P energy: -109.288
bonds (distance) P-C4' energy: -117.737
flat angles C4'-P-C4' energy: -132.218
flat angles P-C4'-P energy: -76.820
tors. eta vs tors. theta energy: -203.048
Dist. restrs. and SS energy: 11.938 (S_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: 323
Temperature: 1.350000
Total energy: -2060.061547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.061547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.925985 (E_RNA)
where:
Base-Base interactions energy: -1469.125
where: short stacking energy: -594.004
Base-Backbone interact. energy: -0.255
local terms energy: -602.546129
where:
bonds (distance) C4'-P energy: -101.446
bonds (distance) P-C4' energy: -98.045
flat angles C4'-P-C4' energy: -131.535
flat angles P-C4'-P energy: -83.273
tors. eta vs tors. theta energy: -188.247
Dist. restrs. and SS energy: 11.864 (S_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: -2774.799931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.799931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.222252 (E_RNA)
where:
Base-Base interactions energy: -1965.523
where: short stacking energy: -796.557
Base-Backbone interact. energy: -2.391
local terms energy: -814.307900
where:
bonds (distance) C4'-P energy: -139.720
bonds (distance) P-C4' energy: -146.181
flat angles C4'-P-C4' energy: -159.342
flat angles P-C4'-P energy: -118.952
tors. eta vs tors. theta energy: -250.113
Dist. restrs. and SS energy: 7.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2697.706062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.706062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.198589 (E_RNA)
where:
Base-Base interactions energy: -1912.082
where: short stacking energy: -797.248
Base-Backbone interact. energy: -1.811
local terms energy: -792.305751
where:
bonds (distance) C4'-P energy: -121.444
bonds (distance) P-C4' energy: -146.104
flat angles C4'-P-C4' energy: -155.312
flat angles P-C4'-P energy: -115.196
tors. eta vs tors. theta energy: -254.250
Dist. restrs. and SS energy: 8.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2626.027215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.027215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.708504 (E_RNA)
where:
Base-Base interactions energy: -1894.892
where: short stacking energy: -762.419
Base-Backbone interact. energy: 1.114
local terms energy: -743.930389
where:
bonds (distance) C4'-P energy: -134.321
bonds (distance) P-C4' energy: -108.297
flat angles C4'-P-C4' energy: -160.506
flat angles P-C4'-P energy: -97.422
tors. eta vs tors. theta energy: -243.385
Dist. restrs. and SS energy: 11.681 (S_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: -2551.289249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.289249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.223131 (E_RNA)
where:
Base-Base interactions energy: -1843.021
where: short stacking energy: -762.303
Base-Backbone interact. energy: -3.204
local terms energy: -710.998928
where:
bonds (distance) C4'-P energy: -126.058
bonds (distance) P-C4' energy: -111.682
flat angles C4'-P-C4' energy: -153.174
flat angles P-C4'-P energy: -84.869
tors. eta vs tors. theta energy: -235.217
Dist. restrs. and SS energy: 5.934 (S_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: 324
Temperature: 1.100000
Total energy: -2460.750970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.750970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.940199 (E_RNA)
where:
Base-Base interactions energy: -1775.010
where: short stacking energy: -726.951
Base-Backbone interact. energy: -2.575
local terms energy: -696.354423
where:
bonds (distance) C4'-P energy: -132.348
bonds (distance) P-C4' energy: -124.587
flat angles C4'-P-C4' energy: -139.773
flat angles P-C4'-P energy: -87.430
tors. eta vs tors. theta energy: -212.218
Dist. restrs. and SS energy: 13.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2332.933836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.933836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.713250 (E_RNA)
where:
Base-Base interactions energy: -1646.488
where: short stacking energy: -656.627
Base-Backbone interact. energy: -2.239
local terms energy: -698.986313
where:
bonds (distance) C4'-P energy: -118.331
bonds (distance) P-C4' energy: -114.217
flat angles C4'-P-C4' energy: -154.177
flat angles P-C4'-P energy: -99.171
tors. eta vs tors. theta energy: -213.090
Dist. restrs. and SS energy: 14.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2320.991975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.991975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.670003 (E_RNA)
where:
Base-Base interactions energy: -1648.358
where: short stacking energy: -677.933
Base-Backbone interact. energy: 0.183
local terms energy: -680.494276
where:
bonds (distance) C4'-P energy: -111.306
bonds (distance) P-C4' energy: -125.802
flat angles C4'-P-C4' energy: -144.167
flat angles P-C4'-P energy: -89.859
tors. eta vs tors. theta energy: -209.360
Dist. restrs. and SS energy: 7.678 (S_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: 324
Temperature: 1.250000
Total energy: -2281.056549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.056549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.087342 (E_RNA)
where:
Base-Base interactions energy: -1631.012
where: short stacking energy: -646.169
Base-Backbone interact. energy: 2.397
local terms energy: -660.472493
where:
bonds (distance) C4'-P energy: -111.054
bonds (distance) P-C4' energy: -127.536
flat angles C4'-P-C4' energy: -140.699
flat angles P-C4'-P energy: -90.101
tors. eta vs tors. theta energy: -191.083
Dist. restrs. and SS energy: 8.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -2090.634575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.634575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.659151 (E_RNA)
where:
Base-Base interactions energy: -1511.145
where: short stacking energy: -612.364
Base-Backbone interact. energy: 5.251
local terms energy: -594.765588
where:
bonds (distance) C4'-P energy: -108.945
bonds (distance) P-C4' energy: -97.440
flat angles C4'-P-C4' energy: -134.690
flat angles P-C4'-P energy: -72.730
tors. eta vs tors. theta energy: -180.961
Dist. restrs. and SS energy: 10.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -2126.737215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.737215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.409389 (E_RNA)
where:
Base-Base interactions energy: -1561.059
where: short stacking energy: -621.210
Base-Backbone interact. energy: -1.855
local terms energy: -575.495711
where:
bonds (distance) C4'-P energy: -116.661
bonds (distance) P-C4' energy: -84.094
flat angles C4'-P-C4' energy: -116.747
flat angles P-C4'-P energy: -64.096
tors. eta vs tors. theta energy: -193.897
Dist. restrs. and SS energy: 11.672 (S_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: -2809.388345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.388345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.673884 (E_RNA)
where:
Base-Base interactions energy: -1998.745
where: short stacking energy: -838.185
Base-Backbone interact. energy: -0.771
local terms energy: -818.158369
where:
bonds (distance) C4'-P energy: -140.888
bonds (distance) P-C4' energy: -132.175
flat angles C4'-P-C4' energy: -164.907
flat angles P-C4'-P energy: -117.234
tors. eta vs tors. theta energy: -262.954
Dist. restrs. and SS energy: 8.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2694.551729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.551729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.852744 (E_RNA)
where:
Base-Base interactions energy: -1904.566
where: short stacking energy: -779.087
Base-Backbone interact. energy: -0.039
local terms energy: -800.248523
where:
bonds (distance) C4'-P energy: -133.824
bonds (distance) P-C4' energy: -140.553
flat angles C4'-P-C4' energy: -165.649
flat angles P-C4'-P energy: -117.187
tors. eta vs tors. theta energy: -243.036
Dist. restrs. and SS energy: 10.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2648.687133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.687133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.502690 (E_RNA)
where:
Base-Base interactions energy: -1869.929
where: short stacking energy: -767.789
Base-Backbone interact. energy: -2.818
local terms energy: -788.756437
where:
bonds (distance) C4'-P energy: -139.257
bonds (distance) P-C4' energy: -134.108
flat angles C4'-P-C4' energy: -157.554
flat angles P-C4'-P energy: -117.371
tors. eta vs tors. theta energy: -240.466
Dist. restrs. and SS energy: 12.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2573.223653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.223653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.566769 (E_RNA)
where:
Base-Base interactions energy: -1828.347
where: short stacking energy: -735.618
Base-Backbone interact. energy: -1.143
local terms energy: -746.076665
where:
bonds (distance) C4'-P energy: -109.781
bonds (distance) P-C4' energy: -136.023
flat angles C4'-P-C4' energy: -158.292
flat angles P-C4'-P energy: -110.613
tors. eta vs tors. theta energy: -231.368
Dist. restrs. and SS energy: 2.343 (S_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: 325
Temperature: 1.100000
Total energy: -2466.868493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.868493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.915081 (E_RNA)
where:
Base-Base interactions energy: -1752.150
where: short stacking energy: -715.567
Base-Backbone interact. energy: -1.572
local terms energy: -722.193137
where:
bonds (distance) C4'-P energy: -137.136
bonds (distance) P-C4' energy: -98.953
flat angles C4'-P-C4' energy: -157.462
flat angles P-C4'-P energy: -106.176
tors. eta vs tors. theta energy: -222.466
Dist. restrs. and SS energy: 9.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2419.233801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.233801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.891795 (E_RNA)
where:
Base-Base interactions energy: -1698.211
where: short stacking energy: -681.072
Base-Backbone interact. energy: 2.591
local terms energy: -730.272285
where:
bonds (distance) C4'-P energy: -126.584
bonds (distance) P-C4' energy: -137.085
flat angles C4'-P-C4' energy: -147.763
flat angles P-C4'-P energy: -92.077
tors. eta vs tors. theta energy: -226.763
Dist. restrs. and SS energy: 6.658 (S_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: 325
Temperature: 1.200000
Total energy: -2360.052594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.052594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.944945 (E_RNA)
where:
Base-Base interactions energy: -1653.312
where: short stacking energy: -691.676
Base-Backbone interact. energy: -1.363
local terms energy: -713.270291
where:
bonds (distance) C4'-P energy: -140.102
bonds (distance) P-C4' energy: -121.332
flat angles C4'-P-C4' energy: -146.853
flat angles P-C4'-P energy: -94.192
tors. eta vs tors. theta energy: -210.790
Dist. restrs. and SS energy: 7.892 (S_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: 325
Temperature: 1.250000
Total energy: -2214.816971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.816971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.967925 (E_RNA)
where:
Base-Base interactions energy: -1567.735
where: short stacking energy: -616.765
Base-Backbone interact. energy: 2.604
local terms energy: -654.836503
where:
bonds (distance) C4'-P energy: -127.271
bonds (distance) P-C4' energy: -114.868
flat angles C4'-P-C4' energy: -138.940
flat angles P-C4'-P energy: -78.532
tors. eta vs tors. theta energy: -195.226
Dist. restrs. and SS energy: 5.151 (S_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: 325
Temperature: 1.300000
Total energy: -2060.991533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.991533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.557747 (E_RNA)
where:
Base-Base interactions energy: -1480.300
where: short stacking energy: -580.495
Base-Backbone interact. energy: -3.551
local terms energy: -593.706247
where:
bonds (distance) C4'-P energy: -103.046
bonds (distance) P-C4' energy: -113.587
flat angles C4'-P-C4' energy: -130.198
flat angles P-C4'-P energy: -77.547
tors. eta vs tors. theta energy: -169.328
Dist. restrs. and SS energy: 16.566 (S_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: 325
Temperature: 1.350000
Total energy: -2169.256188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.256188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.575488 (E_RNA)
where:
Base-Base interactions energy: -1543.215
where: short stacking energy: -621.216
Base-Backbone interact. energy: -1.710
local terms energy: -637.650198
where:
bonds (distance) C4'-P energy: -124.529
bonds (distance) P-C4' energy: -113.299
flat angles C4'-P-C4' energy: -128.226
flat angles P-C4'-P energy: -63.904
tors. eta vs tors. theta energy: -207.692
Dist. restrs. and SS energy: 13.319 (S_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: -2804.276062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.276062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.833233 (E_RNA)
where:
Base-Base interactions energy: -1985.930
where: short stacking energy: -802.478
Base-Backbone interact. energy: 0.164
local terms energy: -827.067166
where:
bonds (distance) C4'-P energy: -140.415
bonds (distance) P-C4' energy: -146.585
flat angles C4'-P-C4' energy: -172.089
flat angles P-C4'-P energy: -116.225
tors. eta vs tors. theta energy: -251.753
Dist. restrs. and SS energy: 8.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2684.323660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.323660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.102999 (E_RNA)
where:
Base-Base interactions energy: -1888.495
where: short stacking energy: -778.261
Base-Backbone interact. energy: -2.785
local terms energy: -802.822754
where:
bonds (distance) C4'-P energy: -131.944
bonds (distance) P-C4' energy: -150.677
flat angles C4'-P-C4' energy: -164.333
flat angles P-C4'-P energy: -107.334
tors. eta vs tors. theta energy: -248.535
Dist. restrs. and SS energy: 9.779 (S_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: 326
Temperature: 1.000000
Total energy: -2635.922309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.922309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.115929 (E_RNA)
where:
Base-Base interactions energy: -1867.989
where: short stacking energy: -748.230
Base-Backbone interact. energy: -2.861
local terms energy: -776.266408
where:
bonds (distance) C4'-P energy: -117.189
bonds (distance) P-C4' energy: -136.849
flat angles C4'-P-C4' energy: -174.523
flat angles P-C4'-P energy: -112.652
tors. eta vs tors. theta energy: -235.053
Dist. restrs. and SS energy: 11.194 (S_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: 326
Temperature: 1.050000
Total energy: -2598.004486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.004486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.794699 (E_RNA)
where:
Base-Base interactions energy: -1839.068
where: short stacking energy: -768.425
Base-Backbone interact. energy: -3.524
local terms energy: -763.203008
where:
bonds (distance) C4'-P energy: -133.410
bonds (distance) P-C4' energy: -127.598
flat angles C4'-P-C4' energy: -154.365
flat angles P-C4'-P energy: -107.862
tors. eta vs tors. theta energy: -239.968
Dist. restrs. and SS energy: 7.790 (S_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: 326
Temperature: 1.100000
Total energy: -2456.398693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.398693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.487187 (E_RNA)
where:
Base-Base interactions energy: -1725.420
where: short stacking energy: -722.116
Base-Backbone interact. energy: -4.098
local terms energy: -738.969055
where:
bonds (distance) C4'-P energy: -133.163
bonds (distance) P-C4' energy: -135.855
flat angles C4'-P-C4' energy: -148.686
flat angles P-C4'-P energy: -108.661
tors. eta vs tors. theta energy: -212.604
Dist. restrs. and SS energy: 12.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2428.283138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.283138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.204612 (E_RNA)
where:
Base-Base interactions energy: -1714.148
where: short stacking energy: -718.629
Base-Backbone interact. energy: -1.045
local terms energy: -722.011407
where:
bonds (distance) C4'-P energy: -121.333
bonds (distance) P-C4' energy: -133.821
flat angles C4'-P-C4' energy: -147.398
flat angles P-C4'-P energy: -104.018
tors. eta vs tors. theta energy: -215.440
Dist. restrs. and SS energy: 8.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2342.588057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.588057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.986400 (E_RNA)
where:
Base-Base interactions energy: -1668.012
where: short stacking energy: -661.929
Base-Backbone interact. energy: 1.173
local terms energy: -688.147432
where:
bonds (distance) C4'-P energy: -99.445
bonds (distance) P-C4' energy: -122.814
flat angles C4'-P-C4' energy: -157.597
flat angles P-C4'-P energy: -103.167
tors. eta vs tors. theta energy: -205.124
Dist. restrs. and SS energy: 12.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2240.103153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.103153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.668070 (E_RNA)
where:
Base-Base interactions energy: -1581.579
where: short stacking energy: -642.332
Base-Backbone interact. energy: -2.953
local terms energy: -666.135723
where:
bonds (distance) C4'-P energy: -109.731
bonds (distance) P-C4' energy: -112.916
flat angles C4'-P-C4' energy: -145.432
flat angles P-C4'-P energy: -90.798
tors. eta vs tors. theta energy: -207.260
Dist. restrs. and SS energy: 10.565 (S_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: 326
Temperature: 1.300000
Total energy: -2217.114044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.114044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.948364 (E_RNA)
where:
Base-Base interactions energy: -1590.983
where: short stacking energy: -639.913
Base-Backbone interact. energy: -0.327
local terms energy: -636.639045
where:
bonds (distance) C4'-P energy: -96.941
bonds (distance) P-C4' energy: -108.742
flat angles C4'-P-C4' energy: -131.259
flat angles P-C4'-P energy: -102.968
tors. eta vs tors. theta energy: -196.729
Dist. restrs. and SS energy: 10.834 (S_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: 326
Temperature: 1.350000
Total energy: -2050.287291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.287291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.638234 (E_RNA)
where:
Base-Base interactions energy: -1459.606
where: short stacking energy: -591.003
Base-Backbone interact. energy: -0.341
local terms energy: -599.691499
where:
bonds (distance) C4'-P energy: -112.153
bonds (distance) P-C4' energy: -103.162
flat angles C4'-P-C4' energy: -129.559
flat angles P-C4'-P energy: -82.344
tors. eta vs tors. theta energy: -172.473
Dist. restrs. and SS energy: 9.351 (S_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: -2816.662692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.662692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.778301 (E_RNA)
where:
Base-Base interactions energy: -2004.943
where: short stacking energy: -802.963
Base-Backbone interact. energy: 1.959
local terms energy: -821.794139
where:
bonds (distance) C4'-P energy: -131.415
bonds (distance) P-C4' energy: -149.808
flat angles C4'-P-C4' energy: -164.196
flat angles P-C4'-P energy: -124.277
tors. eta vs tors. theta energy: -252.099
Dist. restrs. and SS energy: 8.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2669.036030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.036030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.165599 (E_RNA)
where:
Base-Base interactions energy: -1894.230
where: short stacking energy: -772.595
Base-Backbone interact. energy: -0.990
local terms energy: -782.945739
where:
bonds (distance) C4'-P energy: -133.178
bonds (distance) P-C4' energy: -136.597
flat angles C4'-P-C4' energy: -165.060
flat angles P-C4'-P energy: -116.304
tors. eta vs tors. theta energy: -231.807
Dist. restrs. and SS energy: 9.130 (S_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: 327
Temperature: 1.000000
Total energy: -2590.974973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.974973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.670858 (E_RNA)
where:
Base-Base interactions energy: -1840.882
where: short stacking energy: -750.346
Base-Backbone interact. energy: -0.492
local terms energy: -759.296506
where:
bonds (distance) C4'-P energy: -120.524
bonds (distance) P-C4' energy: -131.210
flat angles C4'-P-C4' energy: -171.232
flat angles P-C4'-P energy: -109.742
tors. eta vs tors. theta energy: -226.588
Dist. restrs. and SS energy: 9.696 (S_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: 327
Temperature: 1.050000
Total energy: -2590.939455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.939455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.391774 (E_RNA)
where:
Base-Base interactions energy: -1842.109
where: short stacking energy: -755.718
Base-Backbone interact. energy: -2.652
local terms energy: -753.630622
where:
bonds (distance) C4'-P energy: -126.947
bonds (distance) P-C4' energy: -115.942
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -110.388
tors. eta vs tors. theta energy: -243.940
Dist. restrs. and SS energy: 7.452 (S_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: 327
Temperature: 1.100000
Total energy: -2448.698293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.698293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.745375 (E_RNA)
where:
Base-Base interactions energy: -1737.034
where: short stacking energy: -688.082
Base-Backbone interact. energy: -1.512
local terms energy: -719.199330
where:
bonds (distance) C4'-P energy: -127.054
bonds (distance) P-C4' energy: -135.222
flat angles C4'-P-C4' energy: -152.223
flat angles P-C4'-P energy: -92.794
tors. eta vs tors. theta energy: -211.908
Dist. restrs. and SS energy: 9.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2370.812341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.812341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.567092 (E_RNA)
where:
Base-Base interactions energy: -1686.386
where: short stacking energy: -651.676
Base-Backbone interact. energy: -4.162
local terms energy: -693.018859
where:
bonds (distance) C4'-P energy: -112.924
bonds (distance) P-C4' energy: -127.346
flat angles C4'-P-C4' energy: -153.674
flat angles P-C4'-P energy: -80.792
tors. eta vs tors. theta energy: -218.283
Dist. restrs. and SS energy: 12.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2321.214604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.214604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.483124 (E_RNA)
where:
Base-Base interactions energy: -1636.992
where: short stacking energy: -647.024
Base-Backbone interact. energy: 2.579
local terms energy: -694.070099
where:
bonds (distance) C4'-P energy: -124.290
bonds (distance) P-C4' energy: -120.949
flat angles C4'-P-C4' energy: -146.941
flat angles P-C4'-P energy: -97.026
tors. eta vs tors. theta energy: -204.865
Dist. restrs. and SS energy: 7.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2223.275387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.275387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.694075 (E_RNA)
where:
Base-Base interactions energy: -1598.250
where: short stacking energy: -660.146
Base-Backbone interact. energy: -2.550
local terms energy: -634.893860
where:
bonds (distance) C4'-P energy: -98.880
bonds (distance) P-C4' energy: -119.075
flat angles C4'-P-C4' energy: -145.589
flat angles P-C4'-P energy: -76.725
tors. eta vs tors. theta energy: -194.625
Dist. restrs. and SS energy: 12.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -2229.267038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.267038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.749540 (E_RNA)
where:
Base-Base interactions energy: -1612.485
where: short stacking energy: -642.044
Base-Backbone interact. energy: -1.402
local terms energy: -622.861903
where:
bonds (distance) C4'-P energy: -111.898
bonds (distance) P-C4' energy: -99.487
flat angles C4'-P-C4' energy: -129.984
flat angles P-C4'-P energy: -71.029
tors. eta vs tors. theta energy: -210.464
Dist. restrs. and SS energy: 7.483 (S_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: 327
Temperature: 1.350000
Total energy: -2084.459391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.459391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.671586 (E_RNA)
where:
Base-Base interactions energy: -1509.459
where: short stacking energy: -583.444
Base-Backbone interact. energy: -1.358
local terms energy: -583.855429
where:
bonds (distance) C4'-P energy: -101.549
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -125.997
flat angles P-C4'-P energy: -78.695
tors. eta vs tors. theta energy: -176.086
Dist. restrs. and SS energy: 10.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2800.714069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.714069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.175751 (E_RNA)
where:
Base-Base interactions energy: -1992.930
where: short stacking energy: -807.731
Base-Backbone interact. energy: -2.230
local terms energy: -813.016464
where:
bonds (distance) C4'-P energy: -140.561
bonds (distance) P-C4' energy: -141.464
flat angles C4'-P-C4' energy: -157.204
flat angles P-C4'-P energy: -126.512
tors. eta vs tors. theta energy: -247.275
Dist. restrs. and SS energy: 7.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2706.684158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.684158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.547297 (E_RNA)
where:
Base-Base interactions energy: -1898.491
where: short stacking energy: -772.403
Base-Backbone interact. energy: -1.454
local terms energy: -815.602405
where:
bonds (distance) C4'-P energy: -148.150
bonds (distance) P-C4' energy: -140.731
flat angles C4'-P-C4' energy: -165.189
flat angles P-C4'-P energy: -120.606
tors. eta vs tors. theta energy: -240.926
Dist. restrs. and SS energy: 8.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2628.228573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.228573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.539524 (E_RNA)
where:
Base-Base interactions energy: -1877.768
where: short stacking energy: -771.842
Base-Backbone interact. energy: -1.858
local terms energy: -755.913356
where:
bonds (distance) C4'-P energy: -102.831
bonds (distance) P-C4' energy: -135.247
flat angles C4'-P-C4' energy: -156.228
flat angles P-C4'-P energy: -115.155
tors. eta vs tors. theta energy: -246.453
Dist. restrs. and SS energy: 7.311 (S_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: 328
Temperature: 1.050000
Total energy: -2541.479792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.479792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.088042 (E_RNA)
where:
Base-Base interactions energy: -1808.329
where: short stacking energy: -725.261
Base-Backbone interact. energy: -0.942
local terms energy: -738.817611
where:
bonds (distance) C4'-P energy: -124.383
bonds (distance) P-C4' energy: -137.536
flat angles C4'-P-C4' energy: -146.524
flat angles P-C4'-P energy: -106.082
tors. eta vs tors. theta energy: -224.293
Dist. restrs. and SS energy: 6.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2467.845605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.845605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.059018 (E_RNA)
where:
Base-Base interactions energy: -1758.773
where: short stacking energy: -723.489
Base-Backbone interact. energy: -2.441
local terms energy: -714.845541
where:
bonds (distance) C4'-P energy: -126.684
bonds (distance) P-C4' energy: -119.056
flat angles C4'-P-C4' energy: -149.388
flat angles P-C4'-P energy: -107.415
tors. eta vs tors. theta energy: -212.301
Dist. restrs. and SS energy: 8.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2386.491990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.491990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.778821 (E_RNA)
where:
Base-Base interactions energy: -1690.271
where: short stacking energy: -692.571
Base-Backbone interact. energy: -1.455
local terms energy: -699.052782
where:
bonds (distance) C4'-P energy: -129.892
bonds (distance) P-C4' energy: -122.411
flat angles C4'-P-C4' energy: -144.126
flat angles P-C4'-P energy: -81.732
tors. eta vs tors. theta energy: -220.892
Dist. restrs. and SS energy: 4.287 (S_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: 328
Temperature: 1.200000
Total energy: -2315.700630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.700630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.058634 (E_RNA)
where:
Base-Base interactions energy: -1632.392
where: short stacking energy: -650.267
Base-Backbone interact. energy: -4.181
local terms energy: -691.485518
where:
bonds (distance) C4'-P energy: -131.207
bonds (distance) P-C4' energy: -113.205
flat angles C4'-P-C4' energy: -150.106
flat angles P-C4'-P energy: -96.190
tors. eta vs tors. theta energy: -200.778
Dist. restrs. and SS energy: 12.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -2259.550908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.550908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.989091 (E_RNA)
where:
Base-Base interactions energy: -1642.416
where: short stacking energy: -640.990
Base-Backbone interact. energy: 3.840
local terms energy: -632.412778
where:
bonds (distance) C4'-P energy: -103.442
bonds (distance) P-C4' energy: -111.111
flat angles C4'-P-C4' energy: -144.732
flat angles P-C4'-P energy: -87.073
tors. eta vs tors. theta energy: -186.055
Dist. restrs. and SS energy: 11.438 (S_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: 328
Temperature: 1.300000
Total energy: -2167.546852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.546852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.233622 (E_RNA)
where:
Base-Base interactions energy: -1544.493
where: short stacking energy: -620.039
Base-Backbone interact. energy: -1.878
local terms energy: -631.862528
where:
bonds (distance) C4'-P energy: -106.452
bonds (distance) P-C4' energy: -101.700
flat angles C4'-P-C4' energy: -138.885
flat angles P-C4'-P energy: -85.527
tors. eta vs tors. theta energy: -199.299
Dist. restrs. and SS energy: 10.687 (S_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: 328
Temperature: 1.350000
Total energy: -2070.451801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.451801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.318322 (E_RNA)
where:
Base-Base interactions energy: -1474.256
where: short stacking energy: -556.661
Base-Backbone interact. energy: -2.853
local terms energy: -601.209064
where:
bonds (distance) C4'-P energy: -112.515
bonds (distance) P-C4' energy: -104.048
flat angles C4'-P-C4' energy: -135.317
flat angles P-C4'-P energy: -79.641
tors. eta vs tors. theta energy: -169.688
Dist. restrs. and SS energy: 7.867 (S_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: -2818.915727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.915727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.666287 (E_RNA)
where:
Base-Base interactions energy: -2002.588
where: short stacking energy: -795.418
Base-Backbone interact. energy: -2.560
local terms energy: -820.518184
where:
bonds (distance) C4'-P energy: -139.785
bonds (distance) P-C4' energy: -131.278
flat angles C4'-P-C4' energy: -176.099
flat angles P-C4'-P energy: -120.189
tors. eta vs tors. theta energy: -253.167
Dist. restrs. and SS energy: 6.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2699.257661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.257661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.588115 (E_RNA)
where:
Base-Base interactions energy: -1913.748
where: short stacking energy: -773.527
Base-Backbone interact. energy: -2.636
local terms energy: -792.203865
where:
bonds (distance) C4'-P energy: -143.135
bonds (distance) P-C4' energy: -133.589
flat angles C4'-P-C4' energy: -168.538
flat angles P-C4'-P energy: -112.611
tors. eta vs tors. theta energy: -234.331
Dist. restrs. and SS energy: 9.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2650.803028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.803028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.221406 (E_RNA)
where:
Base-Base interactions energy: -1900.419
where: short stacking energy: -786.654
Base-Backbone interact. energy: -1.176
local terms energy: -755.625990
where:
bonds (distance) C4'-P energy: -118.560
bonds (distance) P-C4' energy: -124.794
flat angles C4'-P-C4' energy: -156.300
flat angles P-C4'-P energy: -112.617
tors. eta vs tors. theta energy: -243.356
Dist. restrs. and SS energy: 6.418 (S_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: 329
Temperature: 1.050000
Total energy: -2568.396301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.396301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.928109 (E_RNA)
where:
Base-Base interactions energy: -1822.308
where: short stacking energy: -767.394
Base-Backbone interact. energy: -2.365
local terms energy: -753.255257
where:
bonds (distance) C4'-P energy: -122.291
bonds (distance) P-C4' energy: -132.573
flat angles C4'-P-C4' energy: -148.558
flat angles P-C4'-P energy: -109.494
tors. eta vs tors. theta energy: -240.338
Dist. restrs. and SS energy: 9.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2493.635615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.635615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.845654 (E_RNA)
where:
Base-Base interactions energy: -1757.618
where: short stacking energy: -718.234
Base-Backbone interact. energy: 0.906
local terms energy: -746.134012
where:
bonds (distance) C4'-P energy: -121.836
bonds (distance) P-C4' energy: -142.452
flat angles C4'-P-C4' energy: -149.895
flat angles P-C4'-P energy: -109.896
tors. eta vs tors. theta energy: -222.055
Dist. restrs. and SS energy: 9.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2391.559473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.559473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.111076 (E_RNA)
where:
Base-Base interactions energy: -1690.140
where: short stacking energy: -677.299
Base-Backbone interact. energy: 1.905
local terms energy: -709.876742
where:
bonds (distance) C4'-P energy: -118.185
bonds (distance) P-C4' energy: -126.127
flat angles C4'-P-C4' energy: -152.626
flat angles P-C4'-P energy: -90.040
tors. eta vs tors. theta energy: -222.899
Dist. restrs. and SS energy: 6.552 (S_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: 329
Temperature: 1.200000
Total energy: -2385.586257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.586257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.322200 (E_RNA)
where:
Base-Base interactions energy: -1689.979
where: short stacking energy: -690.770
Base-Backbone interact. energy: -2.307
local terms energy: -704.036102
where:
bonds (distance) C4'-P energy: -135.577
bonds (distance) P-C4' energy: -119.533
flat angles C4'-P-C4' energy: -132.536
flat angles P-C4'-P energy: -103.149
tors. eta vs tors. theta energy: -213.241
Dist. restrs. and SS energy: 10.736 (S_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: 329
Temperature: 1.250000
Total energy: -2230.105493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.105493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.491211 (E_RNA)
where:
Base-Base interactions energy: -1600.830
where: short stacking energy: -626.737
Base-Backbone interact. energy: 3.305
local terms energy: -639.966489
where:
bonds (distance) C4'-P energy: -110.619
bonds (distance) P-C4' energy: -122.361
flat angles C4'-P-C4' energy: -130.997
flat angles P-C4'-P energy: -85.166
tors. eta vs tors. theta energy: -190.823
Dist. restrs. and SS energy: 7.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -2214.010219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.010219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.528440 (E_RNA)
where:
Base-Base interactions energy: -1589.767
where: short stacking energy: -631.632
Base-Backbone interact. energy: -2.074
local terms energy: -633.687178
where:
bonds (distance) C4'-P energy: -112.997
bonds (distance) P-C4' energy: -110.098
flat angles C4'-P-C4' energy: -140.024
flat angles P-C4'-P energy: -85.822
tors. eta vs tors. theta energy: -184.747
Dist. restrs. and SS energy: 11.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -2085.236636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.236636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.513280 (E_RNA)
where:
Base-Base interactions energy: -1487.928
where: short stacking energy: -586.532
Base-Backbone interact. energy: -0.587
local terms energy: -600.998181
where:
bonds (distance) C4'-P energy: -105.783
bonds (distance) P-C4' energy: -119.760
flat angles C4'-P-C4' energy: -128.263
flat angles P-C4'-P energy: -77.515
tors. eta vs tors. theta energy: -169.678
Dist. restrs. and SS energy: 4.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2810.591638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.591638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.093718 (E_RNA)
where:
Base-Base interactions energy: -1992.717
where: short stacking energy: -807.305
Base-Backbone interact. energy: -2.907
local terms energy: -823.470114
where:
bonds (distance) C4'-P energy: -138.711
bonds (distance) P-C4' energy: -144.008
flat angles C4'-P-C4' energy: -169.244
flat angles P-C4'-P energy: -116.544
tors. eta vs tors. theta energy: -254.964
Dist. restrs. and SS energy: 8.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2699.075751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.075751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.420323 (E_RNA)
where:
Base-Base interactions energy: -1899.968
where: short stacking energy: -801.052
Base-Backbone interact. energy: -1.294
local terms energy: -809.157785
where:
bonds (distance) C4'-P energy: -142.903
bonds (distance) P-C4' energy: -140.523
flat angles C4'-P-C4' energy: -158.274
flat angles P-C4'-P energy: -117.429
tors. eta vs tors. theta energy: -250.028
Dist. restrs. and SS energy: 11.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2630.590449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.590449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.555828 (E_RNA)
where:
Base-Base interactions energy: -1859.842
where: short stacking energy: -776.477
Base-Backbone interact. energy: -1.405
local terms energy: -778.308916
where:
bonds (distance) C4'-P energy: -123.682
bonds (distance) P-C4' energy: -138.896
flat angles C4'-P-C4' energy: -157.811
flat angles P-C4'-P energy: -120.144
tors. eta vs tors. theta energy: -237.776
Dist. restrs. and SS energy: 8.965 (S_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: 330
Temperature: 1.050000
Total energy: -2558.158268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.158268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.223299 (E_RNA)
where:
Base-Base interactions energy: -1814.695
where: short stacking energy: -743.922
Base-Backbone interact. energy: -2.175
local terms energy: -752.353182
where:
bonds (distance) C4'-P energy: -133.554
bonds (distance) P-C4' energy: -143.852
flat angles C4'-P-C4' energy: -152.572
flat angles P-C4'-P energy: -99.945
tors. eta vs tors. theta energy: -222.431
Dist. restrs. and SS energy: 11.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2457.375351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.375351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.661395 (E_RNA)
where:
Base-Base interactions energy: -1748.356
where: short stacking energy: -690.267
Base-Backbone interact. energy: 0.576
local terms energy: -714.881235
where:
bonds (distance) C4'-P energy: -127.586
bonds (distance) P-C4' energy: -124.895
flat angles C4'-P-C4' energy: -151.443
flat angles P-C4'-P energy: -95.999
tors. eta vs tors. theta energy: -214.959
Dist. restrs. and SS energy: 5.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2393.080006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.080006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.731892 (E_RNA)
where:
Base-Base interactions energy: -1699.083
where: short stacking energy: -699.522
Base-Backbone interact. energy: 1.559
local terms energy: -709.206963
where:
bonds (distance) C4'-P energy: -127.263
bonds (distance) P-C4' energy: -126.582
flat angles C4'-P-C4' energy: -143.576
flat angles P-C4'-P energy: -86.479
tors. eta vs tors. theta energy: -225.308
Dist. restrs. and SS energy: 13.652 (S_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: 330
Temperature: 1.200000
Total energy: -2315.454762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.454762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.849951 (E_RNA)
where:
Base-Base interactions energy: -1677.915
where: short stacking energy: -659.077
Base-Backbone interact. energy: -4.058
local terms energy: -640.877331
where:
bonds (distance) C4'-P energy: -93.496
bonds (distance) P-C4' energy: -111.339
flat angles C4'-P-C4' energy: -151.405
flat angles P-C4'-P energy: -90.188
tors. eta vs tors. theta energy: -194.451
Dist. restrs. and SS energy: 7.395 (S_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: 330
Temperature: 1.250000
Total energy: -2254.335542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.335542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.146471 (E_RNA)
where:
Base-Base interactions energy: -1586.750
where: short stacking energy: -666.124
Base-Backbone interact. energy: -4.207
local terms energy: -672.189811
where:
bonds (distance) C4'-P energy: -116.595
bonds (distance) P-C4' energy: -122.179
flat angles C4'-P-C4' energy: -139.032
flat angles P-C4'-P energy: -88.801
tors. eta vs tors. theta energy: -205.582
Dist. restrs. and SS energy: 8.811 (S_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: 330
Temperature: 1.300000
Total energy: -2195.028670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.028670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.697780 (E_RNA)
where:
Base-Base interactions energy: -1564.948
where: short stacking energy: -655.965
Base-Backbone interact. energy: -2.705
local terms energy: -639.044906
where:
bonds (distance) C4'-P energy: -100.950
bonds (distance) P-C4' energy: -113.155
flat angles C4'-P-C4' energy: -130.502
flat angles P-C4'-P energy: -88.947
tors. eta vs tors. theta energy: -205.492
Dist. restrs. and SS energy: 11.669 (S_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: 330
Temperature: 1.350000
Total energy: -2090.049985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.049985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.267039 (E_RNA)
where:
Base-Base interactions energy: -1523.029
where: short stacking energy: -600.279
Base-Backbone interact. energy: -1.079
local terms energy: -584.159168
where:
bonds (distance) C4'-P energy: -96.734
bonds (distance) P-C4' energy: -120.334
flat angles C4'-P-C4' energy: -128.851
flat angles P-C4'-P energy: -71.575
tors. eta vs tors. theta energy: -166.664
Dist. restrs. and SS energy: 18.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2783.654399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.654399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.666264 (E_RNA)
where:
Base-Base interactions energy: -1961.000
where: short stacking energy: -819.499
Base-Backbone interact. energy: -2.017
local terms energy: -829.649300
where:
bonds (distance) C4'-P energy: -144.460
bonds (distance) P-C4' energy: -146.773
flat angles C4'-P-C4' energy: -163.107
flat angles P-C4'-P energy: -116.811
tors. eta vs tors. theta energy: -258.498
Dist. restrs. and SS energy: 9.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2686.448730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.448730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.694130 (E_RNA)
where:
Base-Base interactions energy: -1913.361
where: short stacking energy: -787.335
Base-Backbone interact. energy: -1.719
local terms energy: -780.613840
where:
bonds (distance) C4'-P energy: -128.820
bonds (distance) P-C4' energy: -144.601
flat angles C4'-P-C4' energy: -160.839
flat angles P-C4'-P energy: -113.600
tors. eta vs tors. theta energy: -232.755
Dist. restrs. and SS energy: 9.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2642.787295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.787295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.641711 (E_RNA)
where:
Base-Base interactions energy: -1896.976
where: short stacking energy: -777.844
Base-Backbone interact. energy: -3.050
local terms energy: -756.615141
where:
bonds (distance) C4'-P energy: -134.557
bonds (distance) P-C4' energy: -120.650
flat angles C4'-P-C4' energy: -159.673
flat angles P-C4'-P energy: -102.413
tors. eta vs tors. theta energy: -239.321
Dist. restrs. and SS energy: 13.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2599.207445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.207445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.471982 (E_RNA)
where:
Base-Base interactions energy: -1832.943
where: short stacking energy: -735.632
Base-Backbone interact. energy: -1.503
local terms energy: -775.026099
where:
bonds (distance) C4'-P energy: -131.659
bonds (distance) P-C4' energy: -140.261
flat angles C4'-P-C4' energy: -161.123
flat angles P-C4'-P energy: -102.166
tors. eta vs tors. theta energy: -239.817
Dist. restrs. and SS energy: 10.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2458.663718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.663718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.772607 (E_RNA)
where:
Base-Base interactions energy: -1753.750
where: short stacking energy: -724.630
Base-Backbone interact. energy: -0.537
local terms energy: -710.485583
where:
bonds (distance) C4'-P energy: -123.310
bonds (distance) P-C4' energy: -122.267
flat angles C4'-P-C4' energy: -149.554
flat angles P-C4'-P energy: -98.831
tors. eta vs tors. theta energy: -216.524
Dist. restrs. and SS energy: 6.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2426.717203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.717203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.556892 (E_RNA)
where:
Base-Base interactions energy: -1719.762
where: short stacking energy: -706.334
Base-Backbone interact. energy: -0.260
local terms energy: -723.534806
where:
bonds (distance) C4'-P energy: -123.209
bonds (distance) P-C4' energy: -116.350
flat angles C4'-P-C4' energy: -151.440
flat angles P-C4'-P energy: -107.314
tors. eta vs tors. theta energy: -225.222
Dist. restrs. and SS energy: 16.840 (S_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: 331
Temperature: 1.200000
Total energy: -2317.846968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.846968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.281531 (E_RNA)
where:
Base-Base interactions energy: -1671.117
where: short stacking energy: -671.328
Base-Backbone interact. energy: 3.114
local terms energy: -658.278157
where:
bonds (distance) C4'-P energy: -102.084
bonds (distance) P-C4' energy: -125.509
flat angles C4'-P-C4' energy: -127.995
flat angles P-C4'-P energy: -96.870
tors. eta vs tors. theta energy: -205.819
Dist. restrs. and SS energy: 8.435 (S_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: 331
Temperature: 1.250000
Total energy: -2229.807924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.807924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.958084 (E_RNA)
where:
Base-Base interactions energy: -1575.261
where: short stacking energy: -645.835
Base-Backbone interact. energy: -2.035
local terms energy: -664.662490
where:
bonds (distance) C4'-P energy: -98.878
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -150.342
flat angles P-C4'-P energy: -95.658
tors. eta vs tors. theta energy: -208.009
Dist. restrs. and SS energy: 12.150 (S_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: 331
Temperature: 1.300000
Total energy: -2194.131340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.131340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.980194 (E_RNA)
where:
Base-Base interactions energy: -1574.230
where: short stacking energy: -626.509
Base-Backbone interact. energy: -2.580
local terms energy: -628.170179
where:
bonds (distance) C4'-P energy: -116.041
bonds (distance) P-C4' energy: -120.930
flat angles C4'-P-C4' energy: -116.658
flat angles P-C4'-P energy: -84.010
tors. eta vs tors. theta energy: -190.531
Dist. restrs. and SS energy: 10.849 (S_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: 331
Temperature: 1.350000
Total energy: -2085.168992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.168992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.444925 (E_RNA)
where:
Base-Base interactions energy: -1503.142
where: short stacking energy: -581.640
Base-Backbone interact. energy: -0.802
local terms energy: -597.500815
where:
bonds (distance) C4'-P energy: -95.612
bonds (distance) P-C4' energy: -113.740
flat angles C4'-P-C4' energy: -129.349
flat angles P-C4'-P energy: -90.050
tors. eta vs tors. theta energy: -168.750
Dist. restrs. and SS energy: 16.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2786.885329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.885329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.500920 (E_RNA)
where:
Base-Base interactions energy: -1977.491
where: short stacking energy: -812.222
Base-Backbone interact. energy: -3.324
local terms energy: -813.685309
where:
bonds (distance) C4'-P energy: -140.671
bonds (distance) P-C4' energy: -139.312
flat angles C4'-P-C4' energy: -163.626
flat angles P-C4'-P energy: -111.904
tors. eta vs tors. theta energy: -258.172
Dist. restrs. and SS energy: 7.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2720.882323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.882323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.445618 (E_RNA)
where:
Base-Base interactions energy: -1919.224
where: short stacking energy: -802.050
Base-Backbone interact. energy: -1.469
local terms energy: -808.752575
where:
bonds (distance) C4'-P energy: -136.796
bonds (distance) P-C4' energy: -141.662
flat angles C4'-P-C4' energy: -166.561
flat angles P-C4'-P energy: -115.955
tors. eta vs tors. theta energy: -247.777
Dist. restrs. and SS energy: 8.563 (S_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: 332
Temperature: 1.000000
Total energy: -2626.349761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.349761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.149875 (E_RNA)
where:
Base-Base interactions energy: -1861.043
where: short stacking energy: -758.399
Base-Backbone interact. energy: -1.478
local terms energy: -781.629474
where:
bonds (distance) C4'-P energy: -129.657
bonds (distance) P-C4' energy: -122.401
flat angles C4'-P-C4' energy: -169.147
flat angles P-C4'-P energy: -127.350
tors. eta vs tors. theta energy: -233.075
Dist. restrs. and SS energy: 17.800 (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: 332
Temperature: 1.050000
Total energy: -2562.340557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.340557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.895563 (E_RNA)
where:
Base-Base interactions energy: -1849.998
where: short stacking energy: -746.656
Base-Backbone interact. energy: -3.453
local terms energy: -718.444748
where:
bonds (distance) C4'-P energy: -111.300
bonds (distance) P-C4' energy: -125.325
flat angles C4'-P-C4' energy: -143.100
flat angles P-C4'-P energy: -113.037
tors. eta vs tors. theta energy: -225.682
Dist. restrs. and SS energy: 9.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2481.847787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.847787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.328922 (E_RNA)
where:
Base-Base interactions energy: -1773.088
where: short stacking energy: -741.508
Base-Backbone interact. energy: -0.813
local terms energy: -718.427794
where:
bonds (distance) C4'-P energy: -108.778
bonds (distance) P-C4' energy: -141.141
flat angles C4'-P-C4' energy: -144.533
flat angles P-C4'-P energy: -102.425
tors. eta vs tors. theta energy: -221.551
Dist. restrs. and SS energy: 10.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2458.386654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.386654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.327082 (E_RNA)
where:
Base-Base interactions energy: -1736.621
where: short stacking energy: -705.687
Base-Backbone interact. energy: -3.080
local terms energy: -730.625692
where:
bonds (distance) C4'-P energy: -114.802
bonds (distance) P-C4' energy: -129.494
flat angles C4'-P-C4' energy: -157.125
flat angles P-C4'-P energy: -106.301
tors. eta vs tors. theta energy: -222.904
Dist. restrs. and SS energy: 11.940 (S_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: 332
Temperature: 1.200000
Total energy: -2369.178031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.178031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.487699 (E_RNA)
where:
Base-Base interactions energy: -1670.780
where: short stacking energy: -711.262
Base-Backbone interact. energy: -1.364
local terms energy: -706.343497
where:
bonds (distance) C4'-P energy: -126.420
bonds (distance) P-C4' energy: -119.793
flat angles C4'-P-C4' energy: -154.789
flat angles P-C4'-P energy: -87.661
tors. eta vs tors. theta energy: -217.680
Dist. restrs. and SS energy: 9.310 (S_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: 332
Temperature: 1.250000
Total energy: -2246.829938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.829938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.780422 (E_RNA)
where:
Base-Base interactions energy: -1594.576
where: short stacking energy: -645.295
Base-Backbone interact. energy: -1.408
local terms energy: -661.797086
where:
bonds (distance) C4'-P energy: -116.558
bonds (distance) P-C4' energy: -118.218
flat angles C4'-P-C4' energy: -149.384
flat angles P-C4'-P energy: -82.195
tors. eta vs tors. theta energy: -195.443
Dist. restrs. and SS energy: 10.950 (S_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: 332
Temperature: 1.300000
Total energy: -2148.020299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.020299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.783475 (E_RNA)
where:
Base-Base interactions energy: -1554.768
where: short stacking energy: -629.770
Base-Backbone interact. energy: 0.999
local terms energy: -608.014562
where:
bonds (distance) C4'-P energy: -109.781
bonds (distance) P-C4' energy: -97.266
flat angles C4'-P-C4' energy: -136.252
flat angles P-C4'-P energy: -73.076
tors. eta vs tors. theta energy: -191.640
Dist. restrs. and SS energy: 13.763 (S_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: 332
Temperature: 1.350000
Total energy: -2024.220035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.220035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.796321 (E_RNA)
where:
Base-Base interactions energy: -1472.045
where: short stacking energy: -584.525
Base-Backbone interact. energy: -0.438
local terms energy: -557.313107
where:
bonds (distance) C4'-P energy: -106.918
bonds (distance) P-C4' energy: -87.854
flat angles C4'-P-C4' energy: -111.401
flat angles P-C4'-P energy: -83.582
tors. eta vs tors. theta energy: -167.558
Dist. restrs. and SS energy: 5.576 (S_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: -2810.198527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.198527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.413259 (E_RNA)
where:
Base-Base interactions energy: -1992.670
where: short stacking energy: -830.820
Base-Backbone interact. energy: -2.827
local terms energy: -823.915700
where:
bonds (distance) C4'-P energy: -139.823
bonds (distance) P-C4' energy: -125.764
flat angles C4'-P-C4' energy: -176.380
flat angles P-C4'-P energy: -123.829
tors. eta vs tors. theta energy: -258.119
Dist. restrs. and SS energy: 9.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2705.688816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.688816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.273733 (E_RNA)
where:
Base-Base interactions energy: -1939.521
where: short stacking energy: -806.013
Base-Backbone interact. energy: -2.175
local terms energy: -773.578409
where:
bonds (distance) C4'-P energy: -134.384
bonds (distance) P-C4' energy: -118.508
flat angles C4'-P-C4' energy: -158.008
flat angles P-C4'-P energy: -110.905
tors. eta vs tors. theta energy: -251.774
Dist. restrs. and SS energy: 9.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2641.936797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.936797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.848626 (E_RNA)
where:
Base-Base interactions energy: -1861.607
where: short stacking energy: -789.134
Base-Backbone interact. energy: -2.624
local terms energy: -786.617887
where:
bonds (distance) C4'-P energy: -129.642
bonds (distance) P-C4' energy: -131.613
flat angles C4'-P-C4' energy: -163.348
flat angles P-C4'-P energy: -111.293
tors. eta vs tors. theta energy: -250.723
Dist. restrs. and SS energy: 8.912 (S_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: 333
Temperature: 1.050000
Total energy: -2554.789178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.789178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.254831 (E_RNA)
where:
Base-Base interactions energy: -1803.846
where: short stacking energy: -728.295
Base-Backbone interact. energy: -3.290
local terms energy: -755.119215
where:
bonds (distance) C4'-P energy: -135.178
bonds (distance) P-C4' energy: -139.529
flat angles C4'-P-C4' energy: -154.888
flat angles P-C4'-P energy: -105.262
tors. eta vs tors. theta energy: -220.262
Dist. restrs. and SS energy: 7.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2506.363225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.363225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.141584 (E_RNA)
where:
Base-Base interactions energy: -1759.121
where: short stacking energy: -698.624
Base-Backbone interact. energy: 0.898
local terms energy: -756.918052
where:
bonds (distance) C4'-P energy: -126.126
bonds (distance) P-C4' energy: -123.056
flat angles C4'-P-C4' energy: -162.146
flat angles P-C4'-P energy: -115.233
tors. eta vs tors. theta energy: -230.357
Dist. restrs. and SS energy: 8.778 (S_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: 333
Temperature: 1.150000
Total energy: -2407.303119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.303119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.381403 (E_RNA)
where:
Base-Base interactions energy: -1708.923
where: short stacking energy: -682.137
Base-Backbone interact. energy: -3.263
local terms energy: -706.195259
where:
bonds (distance) C4'-P energy: -110.611
bonds (distance) P-C4' energy: -125.752
flat angles C4'-P-C4' energy: -157.353
flat angles P-C4'-P energy: -89.093
tors. eta vs tors. theta energy: -223.387
Dist. restrs. and SS energy: 11.078 (S_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: 333
Temperature: 1.200000
Total energy: -2349.018199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.018199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.190290 (E_RNA)
where:
Base-Base interactions energy: -1698.109
where: short stacking energy: -673.208
Base-Backbone interact. energy: -2.616
local terms energy: -656.466024
where:
bonds (distance) C4'-P energy: -102.458
bonds (distance) P-C4' energy: -123.698
flat angles C4'-P-C4' energy: -136.172
flat angles P-C4'-P energy: -88.530
tors. eta vs tors. theta energy: -205.607
Dist. restrs. and SS energy: 8.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2299.605775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.605775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.859526 (E_RNA)
where:
Base-Base interactions energy: -1638.878
where: short stacking energy: -686.589
Base-Backbone interact. energy: -2.632
local terms energy: -669.349966
where:
bonds (distance) C4'-P energy: -111.270
bonds (distance) P-C4' energy: -104.274
flat angles C4'-P-C4' energy: -145.355
flat angles P-C4'-P energy: -91.086
tors. eta vs tors. theta energy: -217.364
Dist. restrs. and SS energy: 11.254 (S_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: 333
Temperature: 1.300000
Total energy: -2157.381861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.381861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.678962 (E_RNA)
where:
Base-Base interactions energy: -1556.831
where: short stacking energy: -610.308
Base-Backbone interact. energy: -2.204
local terms energy: -615.643940
where:
bonds (distance) C4'-P energy: -98.107
bonds (distance) P-C4' energy: -100.978
flat angles C4'-P-C4' energy: -147.000
flat angles P-C4'-P energy: -72.264
tors. eta vs tors. theta energy: -197.295
Dist. restrs. and SS energy: 17.297 (S_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: 333
Temperature: 1.350000
Total energy: -2039.193951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.193951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.062626 (E_RNA)
where:
Base-Base interactions energy: -1463.670
where: short stacking energy: -570.630
Base-Backbone interact. energy: 1.118
local terms energy: -586.510187
where:
bonds (distance) C4'-P energy: -92.400
bonds (distance) P-C4' energy: -96.031
flat angles C4'-P-C4' energy: -143.928
flat angles P-C4'-P energy: -77.587
tors. eta vs tors. theta energy: -176.564
Dist. restrs. and SS energy: 9.869 (S_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: -2809.276014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.276014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.207549 (E_RNA)
where:
Base-Base interactions energy: -1994.799
where: short stacking energy: -789.999
Base-Backbone interact. energy: -1.986
local terms energy: -819.422875
where:
bonds (distance) C4'-P energy: -146.897
bonds (distance) P-C4' energy: -149.202
flat angles C4'-P-C4' energy: -154.086
flat angles P-C4'-P energy: -122.846
tors. eta vs tors. theta energy: -246.392
Dist. restrs. and SS energy: 6.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2696.040204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.040204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.621119 (E_RNA)
where:
Base-Base interactions energy: -1909.404
where: short stacking energy: -799.183
Base-Backbone interact. energy: -1.628
local terms energy: -795.588819
where:
bonds (distance) C4'-P energy: -128.673
bonds (distance) P-C4' energy: -142.909
flat angles C4'-P-C4' energy: -157.167
flat angles P-C4'-P energy: -121.964
tors. eta vs tors. theta energy: -244.876
Dist. restrs. and SS energy: 10.581 (S_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: 334
Temperature: 1.000000
Total energy: -2612.343543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.343543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.738135 (E_RNA)
where:
Base-Base interactions energy: -1869.776
where: short stacking energy: -775.583
Base-Backbone interact. energy: -0.746
local terms energy: -754.216093
where:
bonds (distance) C4'-P energy: -119.493
bonds (distance) P-C4' energy: -123.720
flat angles C4'-P-C4' energy: -167.382
flat angles P-C4'-P energy: -114.040
tors. eta vs tors. theta energy: -229.581
Dist. restrs. and SS energy: 12.395 (S_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: 334
Temperature: 1.050000
Total energy: -2596.810623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.810623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.611184 (E_RNA)
where:
Base-Base interactions energy: -1841.627
where: short stacking energy: -750.169
Base-Backbone interact. energy: -2.164
local terms energy: -764.820083
where:
bonds (distance) C4'-P energy: -122.530
bonds (distance) P-C4' energy: -133.942
flat angles C4'-P-C4' energy: -154.332
flat angles P-C4'-P energy: -110.424
tors. eta vs tors. theta energy: -243.593
Dist. restrs. and SS energy: 11.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2489.724769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.724769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.984624 (E_RNA)
where:
Base-Base interactions energy: -1770.145
where: short stacking energy: -725.233
Base-Backbone interact. energy: -0.733
local terms energy: -729.106481
where:
bonds (distance) C4'-P energy: -119.903
bonds (distance) P-C4' energy: -120.211
flat angles C4'-P-C4' energy: -151.117
flat angles P-C4'-P energy: -103.037
tors. eta vs tors. theta energy: -234.839
Dist. restrs. and SS energy: 10.260 (S_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: 334
Temperature: 1.150000
Total energy: -2395.400447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.400447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.192924 (E_RNA)
where:
Base-Base interactions energy: -1702.527
where: short stacking energy: -672.554
Base-Backbone interact. energy: -0.680
local terms energy: -700.985679
where:
bonds (distance) C4'-P energy: -121.318
bonds (distance) P-C4' energy: -120.251
flat angles C4'-P-C4' energy: -139.554
flat angles P-C4'-P energy: -98.227
tors. eta vs tors. theta energy: -221.636
Dist. restrs. and SS energy: 8.792 (S_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: 334
Temperature: 1.200000
Total energy: -2334.790119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.790119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.499975 (E_RNA)
where:
Base-Base interactions energy: -1655.470
where: short stacking energy: -663.060
Base-Backbone interact. energy: 2.136
local terms energy: -689.166722
where:
bonds (distance) C4'-P energy: -111.881
bonds (distance) P-C4' energy: -120.007
flat angles C4'-P-C4' energy: -142.415
flat angles P-C4'-P energy: -108.460
tors. eta vs tors. theta energy: -206.404
Dist. restrs. and SS energy: 7.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2235.408728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.408728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.485742 (E_RNA)
where:
Base-Base interactions energy: -1584.762
where: short stacking energy: -629.988
Base-Backbone interact. energy: -1.814
local terms energy: -656.909627
where:
bonds (distance) C4'-P energy: -110.649
bonds (distance) P-C4' energy: -114.533
flat angles C4'-P-C4' energy: -144.164
flat angles P-C4'-P energy: -90.488
tors. eta vs tors. theta energy: -197.076
Dist. restrs. and SS energy: 8.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -2150.173981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.173981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.523472 (E_RNA)
where:
Base-Base interactions energy: -1547.802
where: short stacking energy: -625.415
Base-Backbone interact. energy: -1.320
local terms energy: -606.400693
where:
bonds (distance) C4'-P energy: -113.439
bonds (distance) P-C4' energy: -114.461
flat angles C4'-P-C4' energy: -125.273
flat angles P-C4'-P energy: -75.956
tors. eta vs tors. theta energy: -177.271
Dist. restrs. and SS energy: 5.349 (S_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: 334
Temperature: 1.350000
Total energy: -2073.853823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.853823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.336089 (E_RNA)
where:
Base-Base interactions energy: -1475.825
where: short stacking energy: -577.900
Base-Backbone interact. energy: 0.230
local terms energy: -605.741927
where:
bonds (distance) C4'-P energy: -108.740
bonds (distance) P-C4' energy: -94.367
flat angles C4'-P-C4' energy: -131.696
flat angles P-C4'-P energy: -96.419
tors. eta vs tors. theta energy: -174.521
Dist. restrs. and SS energy: 7.482 (S_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: -2812.768332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.768332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.553139 (E_RNA)
where:
Base-Base interactions energy: -1975.751
where: short stacking energy: -813.154
Base-Backbone interact. energy: -2.854
local terms energy: -841.948546
where:
bonds (distance) C4'-P energy: -136.175
bonds (distance) P-C4' energy: -153.639
flat angles C4'-P-C4' energy: -168.048
flat angles P-C4'-P energy: -123.113
tors. eta vs tors. theta energy: -260.973
Dist. restrs. and SS energy: 7.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2705.639936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.639936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.104690 (E_RNA)
where:
Base-Base interactions energy: -1921.313
where: short stacking energy: -785.235
Base-Backbone interact. energy: -1.553
local terms energy: -790.238706
where:
bonds (distance) C4'-P energy: -131.514
bonds (distance) P-C4' energy: -145.237
flat angles C4'-P-C4' energy: -159.157
flat angles P-C4'-P energy: -104.577
tors. eta vs tors. theta energy: -249.752
Dist. restrs. and SS energy: 7.465 (S_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: 335
Temperature: 1.000000
Total energy: -2663.846365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.846365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.632705 (E_RNA)
where:
Base-Base interactions energy: -1916.097
where: short stacking energy: -776.160
Base-Backbone interact. energy: -1.419
local terms energy: -757.115950
where:
bonds (distance) C4'-P energy: -122.385
bonds (distance) P-C4' energy: -131.449
flat angles C4'-P-C4' energy: -156.273
flat angles P-C4'-P energy: -108.173
tors. eta vs tors. theta energy: -238.836
Dist. restrs. and SS energy: 10.786 (S_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: 335
Temperature: 1.050000
Total energy: -2551.317413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.317413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.404532 (E_RNA)
where:
Base-Base interactions energy: -1805.833
where: short stacking energy: -710.917
Base-Backbone interact. energy: -1.649
local terms energy: -751.922880
where:
bonds (distance) C4'-P energy: -130.380
bonds (distance) P-C4' energy: -128.564
flat angles C4'-P-C4' energy: -158.705
flat angles P-C4'-P energy: -107.458
tors. eta vs tors. theta energy: -226.816
Dist. restrs. and SS energy: 8.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2492.960523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.960523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.576320 (E_RNA)
where:
Base-Base interactions energy: -1747.931
where: short stacking energy: -715.906
Base-Backbone interact. energy: -5.592
local terms energy: -751.052853
where:
bonds (distance) C4'-P energy: -125.359
bonds (distance) P-C4' energy: -124.173
flat angles C4'-P-C4' energy: -155.987
flat angles P-C4'-P energy: -114.939
tors. eta vs tors. theta energy: -230.595
Dist. restrs. and SS energy: 11.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2403.585596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.585596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.259231 (E_RNA)
where:
Base-Base interactions energy: -1694.442
where: short stacking energy: -697.394
Base-Backbone interact. energy: -1.703
local terms energy: -715.114912
where:
bonds (distance) C4'-P energy: -109.084
bonds (distance) P-C4' energy: -137.317
flat angles C4'-P-C4' energy: -148.389
flat angles P-C4'-P energy: -102.239
tors. eta vs tors. theta energy: -218.085
Dist. restrs. and SS energy: 7.674 (S_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: 335
Temperature: 1.200000
Total energy: -2342.736920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.736920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.527801 (E_RNA)
where:
Base-Base interactions energy: -1710.743
where: short stacking energy: -665.655
Base-Backbone interact. energy: -2.832
local terms energy: -641.952921
where:
bonds (distance) C4'-P energy: -96.526
bonds (distance) P-C4' energy: -129.670
flat angles C4'-P-C4' energy: -130.496
flat angles P-C4'-P energy: -82.332
tors. eta vs tors. theta energy: -202.929
Dist. restrs. and SS energy: 12.791 (S_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: 335
Temperature: 1.250000
Total energy: -2202.041253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.041253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.954562 (E_RNA)
where:
Base-Base interactions energy: -1568.286
where: short stacking energy: -623.032
Base-Backbone interact. energy: -0.051
local terms energy: -644.617029
where:
bonds (distance) C4'-P energy: -95.175
bonds (distance) P-C4' energy: -129.785
flat angles C4'-P-C4' energy: -139.474
flat angles P-C4'-P energy: -98.548
tors. eta vs tors. theta energy: -181.635
Dist. restrs. and SS energy: 10.913 (S_DIST_RNA)
chem. 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: -2187.879472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.879472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.979827 (E_RNA)
where:
Base-Base interactions energy: -1555.440
where: short stacking energy: -606.917
Base-Backbone interact. energy: 2.937
local terms energy: -644.475977
where:
bonds (distance) C4'-P energy: -112.707
bonds (distance) P-C4' energy: -116.697
flat angles C4'-P-C4' energy: -130.151
flat angles P-C4'-P energy: -77.479
tors. eta vs tors. theta energy: -207.442
Dist. restrs. and SS energy: 9.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -2078.253876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.253876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.846893 (E_RNA)
where:
Base-Base interactions energy: -1478.837
where: short stacking energy: -589.706
Base-Backbone interact. energy: -3.181
local terms energy: -609.829312
where:
bonds (distance) C4'-P energy: -111.948
bonds (distance) P-C4' energy: -92.624
flat angles C4'-P-C4' energy: -132.808
flat angles P-C4'-P energy: -105.725
tors. eta vs tors. theta energy: -166.725
Dist. restrs. and SS energy: 13.593 (S_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: -2807.975307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.975307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.141924 (E_RNA)
where:
Base-Base interactions energy: -1997.445
where: short stacking energy: -800.102
Base-Backbone interact. energy: -0.890
local terms energy: -816.806039
where:
bonds (distance) C4'-P energy: -142.330
bonds (distance) P-C4' energy: -145.756
flat angles C4'-P-C4' energy: -165.793
flat angles P-C4'-P energy: -114.662
tors. eta vs tors. theta energy: -248.265
Dist. restrs. and SS energy: 7.167 (S_DIST_RNA)
chem. 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: -2708.139239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.139239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.953065 (E_RNA)
where:
Base-Base interactions energy: -1925.898
where: short stacking energy: -802.608
Base-Backbone interact. energy: -1.788
local terms energy: -787.266914
where:
bonds (distance) C4'-P energy: -124.789
bonds (distance) P-C4' energy: -134.671
flat angles C4'-P-C4' energy: -165.434
flat angles P-C4'-P energy: -120.224
tors. eta vs tors. theta energy: -242.149
Dist. restrs. and SS energy: 6.814 (S_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: 336
Temperature: 1.000000
Total energy: -2656.510477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.510477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.639799 (E_RNA)
where:
Base-Base interactions energy: -1911.912
where: short stacking energy: -768.837
Base-Backbone interact. energy: -2.387
local terms energy: -754.340060
where:
bonds (distance) C4'-P energy: -119.135
bonds (distance) P-C4' energy: -127.148
flat angles C4'-P-C4' energy: -159.454
flat angles P-C4'-P energy: -110.081
tors. eta vs tors. theta energy: -238.522
Dist. restrs. and SS energy: 12.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2573.555965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.555965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.769017 (E_RNA)
where:
Base-Base interactions energy: -1811.403
where: short stacking energy: -733.749
Base-Backbone interact. energy: 1.499
local terms energy: -774.864684
where:
bonds (distance) C4'-P energy: -140.742
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -174.134
flat angles P-C4'-P energy: -97.854
tors. eta vs tors. theta energy: -226.651
Dist. restrs. and SS energy: 11.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2441.235651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.235651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.156607 (E_RNA)
where:
Base-Base interactions energy: -1747.719
where: short stacking energy: -731.504
Base-Backbone interact. energy: -0.743
local terms energy: -704.694047
where:
bonds (distance) C4'-P energy: -131.857
bonds (distance) P-C4' energy: -134.126
flat angles C4'-P-C4' energy: -132.121
flat angles P-C4'-P energy: -91.102
tors. eta vs tors. theta energy: -215.488
Dist. restrs. and SS energy: 11.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2343.210760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.210760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.862244 (E_RNA)
where:
Base-Base interactions energy: -1651.922
where: short stacking energy: -690.455
Base-Backbone interact. energy: -1.815
local terms energy: -705.125417
where:
bonds (distance) C4'-P energy: -116.631
bonds (distance) P-C4' energy: -113.559
flat angles C4'-P-C4' energy: -145.583
flat angles P-C4'-P energy: -111.217
tors. eta vs tors. theta energy: -218.136
Dist. restrs. and SS energy: 15.651 (S_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: 336
Temperature: 1.200000
Total energy: -2286.382557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.382557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.131904 (E_RNA)
where:
Base-Base interactions energy: -1650.804
where: short stacking energy: -659.751
Base-Backbone interact. energy: 1.367
local terms energy: -647.695104
where:
bonds (distance) C4'-P energy: -102.244
bonds (distance) P-C4' energy: -110.737
flat angles C4'-P-C4' energy: -130.820
flat angles P-C4'-P energy: -95.321
tors. eta vs tors. theta energy: -208.572
Dist. restrs. and SS energy: 10.749 (S_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: 336
Temperature: 1.250000
Total energy: -2197.094506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.094506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.978171 (E_RNA)
where:
Base-Base interactions energy: -1553.732
where: short stacking energy: -648.279
Base-Backbone interact. energy: -3.211
local terms energy: -647.035957
where:
bonds (distance) C4'-P energy: -113.544
bonds (distance) P-C4' energy: -118.846
flat angles C4'-P-C4' energy: -139.344
flat angles P-C4'-P energy: -81.700
tors. eta vs tors. theta energy: -193.602
Dist. restrs. and SS energy: 6.884 (S_DIST_RNA)
chem. 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: -2179.618037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.618037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.353941 (E_RNA)
where:
Base-Base interactions energy: -1557.828
where: short stacking energy: -615.889
Base-Backbone interact. energy: -3.209
local terms energy: -635.317220
where:
bonds (distance) C4'-P energy: -106.651
bonds (distance) P-C4' energy: -114.173
flat angles C4'-P-C4' energy: -128.718
flat angles P-C4'-P energy: -90.179
tors. eta vs tors. theta energy: -195.597
Dist. restrs. and SS energy: 16.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -2155.972615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.972615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.958609 (E_RNA)
where:
Base-Base interactions energy: -1547.256
where: short stacking energy: -617.258
Base-Backbone interact. energy: -0.059
local terms energy: -618.643817
where:
bonds (distance) C4'-P energy: -94.645
bonds (distance) P-C4' energy: -115.804
flat angles C4'-P-C4' energy: -131.018
flat angles P-C4'-P energy: -105.967
tors. eta vs tors. theta energy: -171.210
Dist. restrs. and SS energy: 9.986 (S_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: -2786.483049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.483049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.857045 (E_RNA)
where:
Base-Base interactions energy: -1959.345
where: short stacking energy: -814.387
Base-Backbone interact. energy: -0.341
local terms energy: -834.171258
where:
bonds (distance) C4'-P energy: -143.569
bonds (distance) P-C4' energy: -151.499
flat angles C4'-P-C4' energy: -166.553
flat angles P-C4'-P energy: -123.819
tors. eta vs tors. theta energy: -248.732
Dist. restrs. and SS energy: 7.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2699.414333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.414333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.416611 (E_RNA)
where:
Base-Base interactions energy: -1922.581
where: short stacking energy: -760.053
Base-Backbone interact. energy: -1.084
local terms energy: -784.751864
where:
bonds (distance) C4'-P energy: -128.861
bonds (distance) P-C4' energy: -129.423
flat angles C4'-P-C4' energy: -165.530
flat angles P-C4'-P energy: -121.032
tors. eta vs tors. theta energy: -239.906
Dist. restrs. and SS energy: 9.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2657.341064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.341064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.823528 (E_RNA)
where:
Base-Base interactions energy: -1903.830
where: short stacking energy: -790.364
Base-Backbone interact. energy: -3.819
local terms energy: -756.174538
where:
bonds (distance) C4'-P energy: -123.804
bonds (distance) P-C4' energy: -132.192
flat angles C4'-P-C4' energy: -154.089
flat angles P-C4'-P energy: -108.069
tors. eta vs tors. theta energy: -238.022
Dist. restrs. and SS energy: 6.482 (S_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: -2550.949833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.949833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.337689 (E_RNA)
where:
Base-Base interactions energy: -1833.059
where: short stacking energy: -739.244
Base-Backbone interact. energy: -2.162
local terms energy: -728.116812
where:
bonds (distance) C4'-P energy: -117.396
bonds (distance) P-C4' energy: -127.804
flat angles C4'-P-C4' energy: -158.461
flat angles P-C4'-P energy: -95.362
tors. eta vs tors. theta energy: -229.094
Dist. restrs. and SS energy: 12.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2474.491196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.491196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.696858 (E_RNA)
where:
Base-Base interactions energy: -1757.481
where: short stacking energy: -723.928
Base-Backbone interact. energy: -1.424
local terms energy: -731.792080
where:
bonds (distance) C4'-P energy: -117.483
bonds (distance) P-C4' energy: -114.289
flat angles C4'-P-C4' energy: -156.051
flat angles P-C4'-P energy: -108.818
tors. eta vs tors. theta energy: -235.151
Dist. restrs. and SS energy: 16.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2396.850498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.850498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.654725 (E_RNA)
where:
Base-Base interactions energy: -1729.329
where: short stacking energy: -716.058
Base-Backbone interact. energy: -1.773
local terms energy: -674.551966
where:
bonds (distance) C4'-P energy: -106.606
bonds (distance) P-C4' energy: -100.831
flat angles C4'-P-C4' energy: -149.857
flat angles P-C4'-P energy: -100.603
tors. eta vs tors. theta energy: -216.655
Dist. restrs. and SS energy: 8.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2378.265934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.265934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.377020 (E_RNA)
where:
Base-Base interactions energy: -1694.469
where: short stacking energy: -694.091
Base-Backbone interact. energy: -1.986
local terms energy: -696.922403
where:
bonds (distance) C4'-P energy: -103.533
bonds (distance) P-C4' energy: -138.694
flat angles C4'-P-C4' energy: -154.671
flat angles P-C4'-P energy: -82.943
tors. eta vs tors. theta energy: -217.081
Dist. restrs. and SS energy: 15.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2222.689463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.689463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.646725 (E_RNA)
where:
Base-Base interactions energy: -1574.762
where: short stacking energy: -654.967
Base-Backbone interact. energy: -3.858
local terms energy: -653.026630
where:
bonds (distance) C4'-P energy: -115.308
bonds (distance) P-C4' energy: -126.918
flat angles C4'-P-C4' energy: -135.476
flat angles P-C4'-P energy: -74.542
tors. eta vs tors. theta energy: -200.783
Dist. restrs. and SS energy: 8.957 (S_DIST_RNA)
chem. 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: -2186.333977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.333977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.859762 (E_RNA)
where:
Base-Base interactions energy: -1554.962
where: short stacking energy: -655.614
Base-Backbone interact. energy: -0.952
local terms energy: -643.945622
where:
bonds (distance) C4'-P energy: -126.475
bonds (distance) P-C4' energy: -105.293
flat angles C4'-P-C4' energy: -123.325
flat angles P-C4'-P energy: -94.827
tors. eta vs tors. theta energy: -194.026
Dist. restrs. and SS energy: 13.526 (S_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: 337
Temperature: 1.350000
Total energy: -2092.277205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.277205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.838866 (E_RNA)
where:
Base-Base interactions energy: -1500.395
where: short stacking energy: -592.664
Base-Backbone interact. energy: 3.550
local terms energy: -601.993445
where:
bonds (distance) C4'-P energy: -110.160
bonds (distance) P-C4' energy: -97.623
flat angles C4'-P-C4' energy: -134.900
flat angles P-C4'-P energy: -92.734
tors. eta vs tors. theta energy: -166.577
Dist. restrs. and SS energy: 6.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2785.273246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.273246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.272859 (E_RNA)
where:
Base-Base interactions energy: -1974.249
where: short stacking energy: -826.787
Base-Backbone interact. energy: 0.158
local terms energy: -819.182684
where:
bonds (distance) C4'-P energy: -141.348
bonds (distance) P-C4' energy: -127.297
flat angles C4'-P-C4' energy: -171.983
flat angles P-C4'-P energy: -121.383
tors. eta vs tors. theta energy: -257.172
Dist. restrs. and SS energy: 8.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2701.844815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.844815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.010697 (E_RNA)
where:
Base-Base interactions energy: -1930.964
where: short stacking energy: -796.320
Base-Backbone interact. energy: -4.100
local terms energy: -780.946832
where:
bonds (distance) C4'-P energy: -130.792
bonds (distance) P-C4' energy: -135.838
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -114.978
tors. eta vs tors. theta energy: -240.875
Dist. restrs. and SS energy: 14.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2649.732379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.732379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.561073 (E_RNA)
where:
Base-Base interactions energy: -1878.547
where: short stacking energy: -747.223
Base-Backbone interact. energy: -1.070
local terms energy: -775.944320
where:
bonds (distance) C4'-P energy: -135.508
bonds (distance) P-C4' energy: -124.758
flat angles C4'-P-C4' energy: -159.903
flat angles P-C4'-P energy: -121.861
tors. eta vs tors. theta energy: -233.915
Dist. restrs. and SS energy: 5.829 (S_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: 338
Temperature: 1.050000
Total energy: -2567.882869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.882869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.908415 (E_RNA)
where:
Base-Base interactions energy: -1792.768
where: short stacking energy: -734.411
Base-Backbone interact. energy: -2.382
local terms energy: -783.758263
where:
bonds (distance) C4'-P energy: -139.663
bonds (distance) P-C4' energy: -131.638
flat angles C4'-P-C4' energy: -165.339
flat angles P-C4'-P energy: -110.324
tors. eta vs tors. theta energy: -236.794
Dist. restrs. and SS energy: 11.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2485.211966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.211966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.336237 (E_RNA)
where:
Base-Base interactions energy: -1781.238
where: short stacking energy: -717.880
Base-Backbone interact. energy: -0.230
local terms energy: -714.867989
where:
bonds (distance) C4'-P energy: -132.944
bonds (distance) P-C4' energy: -122.521
flat angles C4'-P-C4' energy: -150.324
flat angles P-C4'-P energy: -97.714
tors. eta vs tors. theta energy: -211.364
Dist. restrs. and SS energy: 11.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2377.863273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.863273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.731425 (E_RNA)
where:
Base-Base interactions energy: -1683.901
where: short stacking energy: -687.335
Base-Backbone interact. energy: 2.409
local terms energy: -704.239225
where:
bonds (distance) C4'-P energy: -114.561
bonds (distance) P-C4' energy: -111.630
flat angles C4'-P-C4' energy: -148.270
flat angles P-C4'-P energy: -114.397
tors. eta vs tors. theta energy: -215.381
Dist. restrs. and SS energy: 7.868 (S_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: 338
Temperature: 1.200000
Total energy: -2366.520534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.520534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.212304 (E_RNA)
where:
Base-Base interactions energy: -1679.536
where: short stacking energy: -685.336
Base-Backbone interact. energy: -0.704
local terms energy: -710.972326
where:
bonds (distance) C4'-P energy: -127.856
bonds (distance) P-C4' energy: -118.010
flat angles C4'-P-C4' energy: -143.893
flat angles P-C4'-P energy: -106.775
tors. eta vs tors. theta energy: -214.439
Dist. restrs. and SS energy: 24.692 (S_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: -2233.696760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.696760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.117647 (E_RNA)
where:
Base-Base interactions energy: -1582.548
where: short stacking energy: -638.566
Base-Backbone interact. energy: -2.601
local terms energy: -657.968616
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -123.631
flat angles C4'-P-C4' energy: -144.712
flat angles P-C4'-P energy: -95.220
tors. eta vs tors. theta energy: -196.291
Dist. restrs. and SS energy: 9.421 (S_DIST_RNA)
chem. 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: -2127.736552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.736552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.159298 (E_RNA)
where:
Base-Base interactions energy: -1530.655
where: short stacking energy: -623.021
Base-Backbone interact. energy: -0.307
local terms energy: -606.198089
where:
bonds (distance) C4'-P energy: -96.720
bonds (distance) P-C4' energy: -108.040
flat angles C4'-P-C4' energy: -139.698
flat angles P-C4'-P energy: -85.253
tors. eta vs tors. theta energy: -176.486
Dist. restrs. and SS energy: 9.423 (S_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: 338
Temperature: 1.350000
Total energy: -2152.368379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.368379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.053304 (E_RNA)
where:
Base-Base interactions energy: -1540.148
where: short stacking energy: -618.590
Base-Backbone interact. energy: -1.619
local terms energy: -623.286331
where:
bonds (distance) C4'-P energy: -116.448
bonds (distance) P-C4' energy: -110.651
flat angles C4'-P-C4' energy: -122.740
flat angles P-C4'-P energy: -83.859
tors. eta vs tors. theta energy: -189.588
Dist. restrs. and SS energy: 12.685 (S_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: -2795.003969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.003969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.495158 (E_RNA)
where:
Base-Base interactions energy: -1963.558
where: short stacking energy: -782.704
Base-Backbone interact. energy: -1.015
local terms energy: -838.922405
where:
bonds (distance) C4'-P energy: -143.930
bonds (distance) P-C4' energy: -152.303
flat angles C4'-P-C4' energy: -172.646
flat angles P-C4'-P energy: -120.309
tors. eta vs tors. theta energy: -249.734
Dist. restrs. and SS energy: 8.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2730.095393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.095393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.405586 (E_RNA)
where:
Base-Base interactions energy: -1931.921
where: short stacking energy: -786.801
Base-Backbone interact. energy: -1.882
local terms energy: -804.601696
where:
bonds (distance) C4'-P energy: -131.818
bonds (distance) P-C4' energy: -148.710
flat angles C4'-P-C4' energy: -173.481
flat angles P-C4'-P energy: -107.452
tors. eta vs tors. theta energy: -243.140
Dist. restrs. and SS energy: 8.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2658.767914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.767914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.980875 (E_RNA)
where:
Base-Base interactions energy: -1885.786
where: short stacking energy: -752.090
Base-Backbone interact. energy: -0.643
local terms energy: -778.552180
where:
bonds (distance) C4'-P energy: -131.648
bonds (distance) P-C4' energy: -134.796
flat angles C4'-P-C4' energy: -163.529
flat angles P-C4'-P energy: -107.332
tors. eta vs tors. theta energy: -241.246
Dist. restrs. and SS energy: 6.213 (S_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: 339
Temperature: 1.050000
Total energy: -2576.877146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.877146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.259917 (E_RNA)
where:
Base-Base interactions energy: -1833.927
where: short stacking energy: -732.221
Base-Backbone interact. energy: -1.413
local terms energy: -755.919802
where:
bonds (distance) C4'-P energy: -128.344
bonds (distance) P-C4' energy: -130.887
flat angles C4'-P-C4' energy: -149.321
flat angles P-C4'-P energy: -114.818
tors. eta vs tors. theta energy: -232.549
Dist. restrs. and SS energy: 14.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2475.476331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.476331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.553368 (E_RNA)
where:
Base-Base interactions energy: -1754.225
where: short stacking energy: -715.658
Base-Backbone interact. energy: 1.284
local terms energy: -733.612941
where:
bonds (distance) C4'-P energy: -127.223
bonds (distance) P-C4' energy: -126.150
flat angles C4'-P-C4' energy: -156.726
flat angles P-C4'-P energy: -108.486
tors. eta vs tors. theta energy: -215.028
Dist. restrs. and SS energy: 11.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2422.269950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.269950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.934086 (E_RNA)
where:
Base-Base interactions energy: -1708.086
where: short stacking energy: -718.326
Base-Backbone interact. energy: -1.432
local terms energy: -730.415819
where:
bonds (distance) C4'-P energy: -111.471
bonds (distance) P-C4' energy: -134.053
flat angles C4'-P-C4' energy: -134.844
flat angles P-C4'-P energy: -120.390
tors. eta vs tors. theta energy: -229.657
Dist. restrs. and SS energy: 17.664 (S_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: 339
Temperature: 1.200000
Total energy: -2294.393644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.393644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.304193 (E_RNA)
where:
Base-Base interactions energy: -1642.601
where: short stacking energy: -658.541
Base-Backbone interact. energy: -2.124
local terms energy: -655.579863
where:
bonds (distance) C4'-P energy: -101.789
bonds (distance) P-C4' energy: -125.199
flat angles C4'-P-C4' energy: -136.408
flat angles P-C4'-P energy: -89.492
tors. eta vs tors. theta energy: -202.691
Dist. restrs. and SS energy: 5.911 (S_DIST_RNA)
chem. 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: -2240.797903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.797903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.622695 (E_RNA)
where:
Base-Base interactions energy: -1610.343
where: short stacking energy: -661.786
Base-Backbone interact. energy: -2.848
local terms energy: -637.432555
where:
bonds (distance) C4'-P energy: -84.074
bonds (distance) P-C4' energy: -111.275
flat angles C4'-P-C4' energy: -133.035
flat angles P-C4'-P energy: -102.134
tors. eta vs tors. theta energy: -206.915
Dist. restrs. and SS energy: 9.825 (S_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: -2181.500739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.500739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.613792 (E_RNA)
where:
Base-Base interactions energy: -1587.384
where: short stacking energy: -645.258
Base-Backbone interact. energy: -2.751
local terms energy: -599.478299
where:
bonds (distance) C4'-P energy: -111.448
bonds (distance) P-C4' energy: -89.614
flat angles C4'-P-C4' energy: -134.159
flat angles P-C4'-P energy: -66.790
tors. eta vs tors. theta energy: -197.468
Dist. restrs. and SS energy: 8.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -2093.043574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.043574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.678981 (E_RNA)
where:
Base-Base interactions energy: -1531.757
where: short stacking energy: -624.242
Base-Backbone interact. energy: -0.519
local terms energy: -575.403084
where:
bonds (distance) C4'-P energy: -91.997
bonds (distance) P-C4' energy: -105.815
flat angles C4'-P-C4' energy: -121.987
flat angles P-C4'-P energy: -71.539
tors. eta vs tors. theta energy: -184.065
Dist. restrs. and SS energy: 14.635 (S_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: -2830.967384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.967384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.549060 (E_RNA)
where:
Base-Base interactions energy: -2003.708
where: short stacking energy: -834.120
Base-Backbone interact. energy: -2.863
local terms energy: -829.977887
where:
bonds (distance) C4'-P energy: -134.372
bonds (distance) P-C4' energy: -149.475
flat angles C4'-P-C4' energy: -162.365
flat angles P-C4'-P energy: -121.573
tors. eta vs tors. theta energy: -262.192
Dist. restrs. and SS energy: 5.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2704.093126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.093126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.280617 (E_RNA)
where:
Base-Base interactions energy: -1924.804
where: short stacking energy: -788.416
Base-Backbone interact. energy: -3.155
local terms energy: -788.321586
where:
bonds (distance) C4'-P energy: -132.443
bonds (distance) P-C4' energy: -137.280
flat angles C4'-P-C4' energy: -155.825
flat angles P-C4'-P energy: -119.005
tors. eta vs tors. theta energy: -243.769
Dist. restrs. and SS energy: 12.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2666.778041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.778041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.043429 (E_RNA)
where:
Base-Base interactions energy: -1885.541
where: short stacking energy: -780.432
Base-Backbone interact. energy: -2.341
local terms energy: -786.162119
where:
bonds (distance) C4'-P energy: -137.506
bonds (distance) P-C4' energy: -124.305
flat angles C4'-P-C4' energy: -160.648
flat angles P-C4'-P energy: -114.222
tors. eta vs tors. theta energy: -249.481
Dist. restrs. and SS energy: 7.265 (S_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: 340
Temperature: 1.050000
Total energy: -2565.832229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.832229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.853709 (E_RNA)
where:
Base-Base interactions energy: -1820.519
where: short stacking energy: -764.769
Base-Backbone interact. energy: -0.611
local terms energy: -756.723370
where:
bonds (distance) C4'-P energy: -110.787
bonds (distance) P-C4' energy: -130.765
flat angles C4'-P-C4' energy: -157.398
flat angles P-C4'-P energy: -112.588
tors. eta vs tors. theta energy: -245.186
Dist. restrs. and SS energy: 12.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2458.035744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.035744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.659285 (E_RNA)
where:
Base-Base interactions energy: -1740.782
where: short stacking energy: -705.713
Base-Backbone interact. energy: -1.452
local terms energy: -726.424506
where:
bonds (distance) C4'-P energy: -121.341
bonds (distance) P-C4' energy: -131.860
flat angles C4'-P-C4' energy: -151.983
flat angles P-C4'-P energy: -104.329
tors. eta vs tors. theta energy: -216.911
Dist. restrs. and SS energy: 10.624 (S_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: 340
Temperature: 1.150000
Total energy: -2423.987762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.987762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.800459 (E_RNA)
where:
Base-Base interactions energy: -1719.460
where: short stacking energy: -715.338
Base-Backbone interact. energy: -2.131
local terms energy: -716.208715
where:
bonds (distance) C4'-P energy: -114.669
bonds (distance) P-C4' energy: -120.561
flat angles C4'-P-C4' energy: -153.053
flat angles P-C4'-P energy: -105.468
tors. eta vs tors. theta energy: -222.457
Dist. restrs. and SS energy: 13.813 (S_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: -2298.248999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.248999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.913052 (E_RNA)
where:
Base-Base interactions energy: -1625.706
where: short stacking energy: -663.345
Base-Backbone interact. energy: 0.932
local terms energy: -680.138581
where:
bonds (distance) C4'-P energy: -100.027
bonds (distance) P-C4' energy: -139.959
flat angles C4'-P-C4' energy: -149.329
flat angles P-C4'-P energy: -87.625
tors. eta vs tors. theta energy: -203.198
Dist. restrs. and SS energy: 6.664 (S_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: 340
Temperature: 1.250000
Total energy: -2262.582855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.582855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.612691 (E_RNA)
where:
Base-Base interactions energy: -1621.504
where: short stacking energy: -660.789
Base-Backbone interact. energy: -3.181
local terms energy: -647.927992
where:
bonds (distance) C4'-P energy: -90.729
bonds (distance) P-C4' energy: -127.661
flat angles C4'-P-C4' energy: -136.096
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -202.055
Dist. restrs. and SS energy: 10.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -2197.444846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.444846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.232423 (E_RNA)
where:
Base-Base interactions energy: -1551.951
where: short stacking energy: -618.440
Base-Backbone interact. energy: 4.487
local terms energy: -661.768265
where:
bonds (distance) C4'-P energy: -108.293
bonds (distance) P-C4' energy: -123.200
flat angles C4'-P-C4' energy: -144.633
flat angles P-C4'-P energy: -85.194
tors. eta vs tors. theta energy: -200.448
Dist. restrs. and SS energy: 11.788 (S_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: 340
Temperature: 1.350000
Total energy: -2074.624404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.624404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.865304 (E_RNA)
where:
Base-Base interactions energy: -1504.697
where: short stacking energy: -583.823
Base-Backbone interact. energy: -2.521
local terms energy: -578.647579
where:
bonds (distance) C4'-P energy: -86.045
bonds (distance) P-C4' energy: -98.468
flat angles C4'-P-C4' energy: -122.689
flat angles P-C4'-P energy: -94.634
tors. eta vs tors. theta energy: -176.812
Dist. restrs. and SS energy: 11.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2815.933485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.933485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.539358 (E_RNA)
where:
Base-Base interactions energy: -2013.594
where: short stacking energy: -805.397
Base-Backbone interact. energy: -0.358
local terms energy: -809.587697
where:
bonds (distance) C4'-P energy: -146.950
bonds (distance) P-C4' energy: -137.298
flat angles C4'-P-C4' energy: -161.936
flat angles P-C4'-P energy: -112.092
tors. eta vs tors. theta energy: -251.312
Dist. restrs. and SS energy: 7.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2689.337520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.337520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.553189 (E_RNA)
where:
Base-Base interactions energy: -1910.043
where: short stacking energy: -786.696
Base-Backbone interact. energy: -2.102
local terms energy: -782.407817
where:
bonds (distance) C4'-P energy: -128.879
bonds (distance) P-C4' energy: -142.297
flat angles C4'-P-C4' energy: -164.143
flat angles P-C4'-P energy: -106.053
tors. eta vs tors. theta energy: -241.035
Dist. restrs. and SS energy: 5.216 (S_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: 341
Temperature: 1.000000
Total energy: -2653.324694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.324694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.538483 (E_RNA)
where:
Base-Base interactions energy: -1913.892
where: short stacking energy: -776.014
Base-Backbone interact. energy: -1.648
local terms energy: -751.997746
where:
bonds (distance) C4'-P energy: -133.716
bonds (distance) P-C4' energy: -126.955
flat angles C4'-P-C4' energy: -145.053
flat angles P-C4'-P energy: -98.952
tors. eta vs tors. theta energy: -247.322
Dist. restrs. and SS energy: 14.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2521.798614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.798614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.026480 (E_RNA)
where:
Base-Base interactions energy: -1783.482
where: short stacking energy: -730.463
Base-Backbone interact. energy: -2.057
local terms energy: -747.486994
where:
bonds (distance) C4'-P energy: -123.106
bonds (distance) P-C4' energy: -130.903
flat angles C4'-P-C4' energy: -153.293
flat angles P-C4'-P energy: -106.189
tors. eta vs tors. theta energy: -233.996
Dist. restrs. and SS energy: 11.228 (S_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: 341
Temperature: 1.100000
Total energy: -2520.457093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.457093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.234453 (E_RNA)
where:
Base-Base interactions energy: -1800.433
where: short stacking energy: -728.126
Base-Backbone interact. energy: -0.758
local terms energy: -730.043274
where:
bonds (distance) C4'-P energy: -123.158
bonds (distance) P-C4' energy: -129.125
flat angles C4'-P-C4' energy: -149.945
flat angles P-C4'-P energy: -103.655
tors. eta vs tors. theta energy: -224.161
Dist. restrs. and SS energy: 10.777 (S_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: 341
Temperature: 1.150000
Total energy: -2389.801636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.801636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.567965 (E_RNA)
where:
Base-Base interactions energy: -1690.833
where: short stacking energy: -719.794
Base-Backbone interact. energy: -2.405
local terms energy: -711.329401
where:
bonds (distance) C4'-P energy: -124.201
bonds (distance) P-C4' energy: -119.132
flat angles C4'-P-C4' energy: -149.943
flat angles P-C4'-P energy: -100.828
tors. eta vs tors. theta energy: -217.225
Dist. restrs. and SS energy: 14.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2301.422627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.422627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.165262 (E_RNA)
where:
Base-Base interactions energy: -1642.349
where: short stacking energy: -647.916
Base-Backbone interact. energy: -1.016
local terms energy: -666.799618
where:
bonds (distance) C4'-P energy: -123.051
bonds (distance) P-C4' energy: -108.692
flat angles C4'-P-C4' energy: -143.210
flat angles P-C4'-P energy: -90.324
tors. eta vs tors. theta energy: -201.522
Dist. restrs. and SS energy: 8.743 (S_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: 341
Temperature: 1.250000
Total energy: -2228.437014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.437014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.854636 (E_RNA)
where:
Base-Base interactions energy: -1577.893
where: short stacking energy: -632.076
Base-Backbone interact. energy: -1.677
local terms energy: -654.284471
where:
bonds (distance) C4'-P energy: -133.235
bonds (distance) P-C4' energy: -112.704
flat angles C4'-P-C4' energy: -127.674
flat angles P-C4'-P energy: -93.366
tors. eta vs tors. theta energy: -187.306
Dist. restrs. and SS energy: 5.418 (S_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: -2191.721278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.721278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.903230 (E_RNA)
where:
Base-Base interactions energy: -1544.176
where: short stacking energy: -617.261
Base-Backbone interact. energy: -3.572
local terms energy: -653.155202
where:
bonds (distance) C4'-P energy: -109.006
bonds (distance) P-C4' energy: -121.877
flat angles C4'-P-C4' energy: -132.797
flat angles P-C4'-P energy: -97.872
tors. eta vs tors. theta energy: -191.604
Dist. restrs. and SS energy: 9.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -2046.193236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.193236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.285082 (E_RNA)
where:
Base-Base interactions energy: -1436.298
where: short stacking energy: -573.979
Base-Backbone interact. energy: -2.367
local terms energy: -614.619745
where:
bonds (distance) C4'-P energy: -105.853
bonds (distance) P-C4' energy: -109.172
flat angles C4'-P-C4' energy: -140.628
flat angles P-C4'-P energy: -84.900
tors. eta vs tors. theta energy: -174.066
Dist. restrs. and SS energy: 7.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2826.629574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.629574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.415787 (E_RNA)
where:
Base-Base interactions energy: -1993.793
where: short stacking energy: -816.430
Base-Backbone interact. energy: -3.217
local terms energy: -835.405940
where:
bonds (distance) C4'-P energy: -144.911
bonds (distance) P-C4' energy: -139.917
flat angles C4'-P-C4' energy: -167.768
flat angles P-C4'-P energy: -120.832
tors. eta vs tors. theta energy: -261.979
Dist. restrs. and SS energy: 5.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2684.978548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.978548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.935560 (E_RNA)
where:
Base-Base interactions energy: -1936.410
where: short stacking energy: -800.482
Base-Backbone interact. energy: 0.221
local terms energy: -755.746456
where:
bonds (distance) C4'-P energy: -133.898
bonds (distance) P-C4' energy: -130.345
flat angles C4'-P-C4' energy: -153.575
flat angles P-C4'-P energy: -92.898
tors. eta vs tors. theta energy: -245.031
Dist. restrs. and SS energy: 6.957 (S_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: 342
Temperature: 1.000000
Total energy: -2677.967922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.967922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.873583 (E_RNA)
where:
Base-Base interactions energy: -1899.371
where: short stacking energy: -762.887
Base-Backbone interact. energy: -4.109
local terms energy: -788.393401
where:
bonds (distance) C4'-P energy: -131.544
bonds (distance) P-C4' energy: -133.179
flat angles C4'-P-C4' energy: -163.302
flat angles P-C4'-P energy: -116.464
tors. eta vs tors. theta energy: -243.904
Dist. restrs. and SS energy: 13.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2557.341622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.341622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.628246 (E_RNA)
where:
Base-Base interactions energy: -1824.676
where: short stacking energy: -744.204
Base-Backbone interact. energy: 4.879
local terms energy: -751.831388
where:
bonds (distance) C4'-P energy: -127.541
bonds (distance) P-C4' energy: -124.590
flat angles C4'-P-C4' energy: -156.588
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -236.448
Dist. restrs. and SS energy: 14.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2517.893269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.893269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.130003 (E_RNA)
where:
Base-Base interactions energy: -1782.082
where: short stacking energy: -732.649
Base-Backbone interact. energy: -1.292
local terms energy: -744.755875
where:
bonds (distance) C4'-P energy: -115.884
bonds (distance) P-C4' energy: -138.516
flat angles C4'-P-C4' energy: -159.260
flat angles P-C4'-P energy: -96.576
tors. eta vs tors. theta energy: -234.520
Dist. restrs. and SS energy: 10.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2399.083953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.083953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.356225 (E_RNA)
where:
Base-Base interactions energy: -1720.159
where: short stacking energy: -681.617
Base-Backbone interact. energy: -3.583
local terms energy: -684.614495
where:
bonds (distance) C4'-P energy: -114.816
bonds (distance) P-C4' energy: -122.001
flat angles C4'-P-C4' energy: -140.780
flat angles P-C4'-P energy: -88.864
tors. eta vs tors. theta energy: -218.153
Dist. restrs. and SS energy: 9.272 (S_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: 342
Temperature: 1.200000
Total energy: -2316.918359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.918359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.851851 (E_RNA)
where:
Base-Base interactions energy: -1668.171
where: short stacking energy: -662.337
Base-Backbone interact. energy: 0.126
local terms energy: -654.806068
where:
bonds (distance) C4'-P energy: -105.460
bonds (distance) P-C4' energy: -119.688
flat angles C4'-P-C4' energy: -132.832
flat angles P-C4'-P energy: -92.407
tors. eta vs tors. theta energy: -204.419
Dist. restrs. and SS energy: 5.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2255.211297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.211297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.088034 (E_RNA)
where:
Base-Base interactions energy: -1596.026
where: short stacking energy: -645.498
Base-Backbone interact. energy: -1.246
local terms energy: -665.816594
where:
bonds (distance) C4'-P energy: -103.907
bonds (distance) P-C4' energy: -134.132
flat angles C4'-P-C4' energy: -146.497
flat angles P-C4'-P energy: -86.668
tors. eta vs tors. theta energy: -194.612
Dist. restrs. and SS energy: 7.877 (S_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: -2256.082247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.082247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.776568 (E_RNA)
where:
Base-Base interactions energy: -1616.511
where: short stacking energy: -643.445
Base-Backbone interact. energy: -1.009
local terms energy: -653.256357
where:
bonds (distance) C4'-P energy: -112.026
bonds (distance) P-C4' energy: -108.344
flat angles C4'-P-C4' energy: -138.076
flat angles P-C4'-P energy: -89.533
tors. eta vs tors. theta energy: -205.277
Dist. restrs. and SS energy: 14.694 (S_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: 342
Temperature: 1.350000
Total energy: -2008.353186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.353186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.275850 (E_RNA)
where:
Base-Base interactions energy: -1453.427
where: short stacking energy: -575.133
Base-Backbone interact. energy: -0.573
local terms energy: -568.275740
where:
bonds (distance) C4'-P energy: -105.465
bonds (distance) P-C4' energy: -97.629
flat angles C4'-P-C4' energy: -118.305
flat angles P-C4'-P energy: -79.223
tors. eta vs tors. theta energy: -167.653
Dist. restrs. and SS energy: 13.923 (S_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: -2832.327409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.327409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.619962 (E_RNA)
where:
Base-Base interactions energy: -2012.885
where: short stacking energy: -826.060
Base-Backbone interact. energy: -3.475
local terms energy: -823.259971
where:
bonds (distance) C4'-P energy: -127.242
bonds (distance) P-C4' energy: -143.218
flat angles C4'-P-C4' energy: -169.095
flat angles P-C4'-P energy: -126.473
tors. eta vs tors. theta energy: -257.233
Dist. restrs. and SS energy: 7.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2732.980751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.980751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.483125 (E_RNA)
where:
Base-Base interactions energy: -1950.762
where: short stacking energy: -786.403
Base-Backbone interact. energy: -3.637
local terms energy: -790.084162
where:
bonds (distance) C4'-P energy: -125.165
bonds (distance) P-C4' energy: -137.720
flat angles C4'-P-C4' energy: -158.954
flat angles P-C4'-P energy: -125.612
tors. eta vs tors. theta energy: -242.634
Dist. restrs. and SS energy: 11.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2660.777809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.777809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.085912 (E_RNA)
where:
Base-Base interactions energy: -1898.040
where: short stacking energy: -766.327
Base-Backbone interact. energy: 0.284
local terms energy: -770.330387
where:
bonds (distance) C4'-P energy: -123.309
bonds (distance) P-C4' energy: -131.094
flat angles C4'-P-C4' energy: -163.731
flat angles P-C4'-P energy: -113.249
tors. eta vs tors. theta energy: -238.947
Dist. restrs. and SS energy: 7.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2546.536203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.536203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.017936 (E_RNA)
where:
Base-Base interactions energy: -1831.253
where: short stacking energy: -742.244
Base-Backbone interact. energy: -1.297
local terms energy: -724.467871
where:
bonds (distance) C4'-P energy: -123.159
bonds (distance) P-C4' energy: -119.228
flat angles C4'-P-C4' energy: -154.440
flat angles P-C4'-P energy: -99.805
tors. eta vs tors. theta energy: -227.836
Dist. restrs. and SS energy: 10.482 (S_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: 343
Temperature: 1.100000
Total energy: -2517.020784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.020784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.168407 (E_RNA)
where:
Base-Base interactions energy: -1787.823
where: short stacking energy: -746.385
Base-Backbone interact. energy: -3.332
local terms energy: -737.013724
where:
bonds (distance) C4'-P energy: -133.948
bonds (distance) P-C4' energy: -106.998
flat angles C4'-P-C4' energy: -164.290
flat angles P-C4'-P energy: -102.324
tors. eta vs tors. theta energy: -229.454
Dist. restrs. and SS energy: 11.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2418.662705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.662705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.440417 (E_RNA)
where:
Base-Base interactions energy: -1715.323
where: short stacking energy: -701.731
Base-Backbone interact. energy: 1.620
local terms energy: -714.737237
where:
bonds (distance) C4'-P energy: -124.868
bonds (distance) P-C4' energy: -130.151
flat angles C4'-P-C4' energy: -154.058
flat angles P-C4'-P energy: -81.161
tors. eta vs tors. theta energy: -224.498
Dist. restrs. and SS energy: 9.778 (S_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: 343
Temperature: 1.200000
Total energy: -2339.920214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.920214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.590451 (E_RNA)
where:
Base-Base interactions energy: -1637.664
where: short stacking energy: -656.702
Base-Backbone interact. energy: -0.594
local terms energy: -708.332546
where:
bonds (distance) C4'-P energy: -121.203
bonds (distance) P-C4' energy: -113.429
flat angles C4'-P-C4' energy: -160.181
flat angles P-C4'-P energy: -98.319
tors. eta vs tors. theta energy: -215.200
Dist. restrs. and SS energy: 6.670 (S_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: -2190.920931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.920931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.953104 (E_RNA)
where:
Base-Base interactions energy: -1569.228
where: short stacking energy: -625.536
Base-Backbone interact. energy: -0.736
local terms energy: -630.989100
where:
bonds (distance) C4'-P energy: -93.088
bonds (distance) P-C4' energy: -118.928
flat angles C4'-P-C4' energy: -138.247
flat angles P-C4'-P energy: -89.736
tors. eta vs tors. theta energy: -190.991
Dist. restrs. and SS energy: 10.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -2234.345664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.345664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.408617 (E_RNA)
where:
Base-Base interactions energy: -1599.993
where: short stacking energy: -630.845
Base-Backbone interact. energy: -1.672
local terms energy: -639.743978
where:
bonds (distance) C4'-P energy: -117.924
bonds (distance) P-C4' energy: -111.304
flat angles C4'-P-C4' energy: -127.436
flat angles P-C4'-P energy: -86.501
tors. eta vs tors. theta energy: -196.579
Dist. restrs. and SS energy: 7.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -2061.115286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.115286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.764739 (E_RNA)
where:
Base-Base interactions energy: -1453.537
where: short stacking energy: -595.486
Base-Backbone interact. energy: -1.225
local terms energy: -617.002215
where:
bonds (distance) C4'-P energy: -109.822
bonds (distance) P-C4' energy: -101.292
flat angles C4'-P-C4' energy: -126.055
flat angles P-C4'-P energy: -100.130
tors. eta vs tors. theta energy: -179.704
Dist. restrs. and SS energy: 10.649 (S_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: 344
Temperature: 0.900000
Total energy: -2827.785155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.785155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.138486 (E_RNA)
where:
Base-Base interactions energy: -2013.636
where: short stacking energy: -814.731
Base-Backbone interact. energy: -0.844
local terms energy: -818.658212
where:
bonds (distance) C4'-P energy: -142.816
bonds (distance) P-C4' energy: -139.550
flat angles C4'-P-C4' energy: -166.166
flat angles P-C4'-P energy: -119.972
tors. eta vs tors. theta energy: -250.155
Dist. restrs. and SS energy: 5.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2701.952060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.952060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.112782 (E_RNA)
where:
Base-Base interactions energy: -1930.211
where: short stacking energy: -780.019
Base-Backbone interact. energy: -2.799
local terms energy: -780.103235
where:
bonds (distance) C4'-P energy: -136.751
bonds (distance) P-C4' energy: -129.983
flat angles C4'-P-C4' energy: -160.208
flat angles P-C4'-P energy: -114.084
tors. eta vs tors. theta energy: -239.078
Dist. restrs. and SS energy: 11.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2666.205177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.205177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.690387 (E_RNA)
where:
Base-Base interactions energy: -1876.449
where: short stacking energy: -774.355
Base-Backbone interact. energy: 0.551
local terms energy: -797.792271
where:
bonds (distance) C4'-P energy: -142.897
bonds (distance) P-C4' energy: -146.566
flat angles C4'-P-C4' energy: -159.915
flat angles P-C4'-P energy: -104.445
tors. eta vs tors. theta energy: -243.970
Dist. restrs. and SS energy: 7.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2536.324645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.324645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.216655 (E_RNA)
where:
Base-Base interactions energy: -1812.055
where: short stacking energy: -739.267
Base-Backbone interact. energy: -4.411
local terms energy: -729.751296
where:
bonds (distance) C4'-P energy: -120.556
bonds (distance) P-C4' energy: -114.060
flat angles C4'-P-C4' energy: -165.892
flat angles P-C4'-P energy: -100.249
tors. eta vs tors. theta energy: -228.995
Dist. restrs. and SS energy: 9.892 (S_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: 344
Temperature: 1.100000
Total energy: -2554.594381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.594381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.958986 (E_RNA)
where:
Base-Base interactions energy: -1797.556
where: short stacking energy: -740.740
Base-Backbone interact. energy: -1.023
local terms energy: -767.380175
where:
bonds (distance) C4'-P energy: -123.065
bonds (distance) P-C4' energy: -126.611
flat angles C4'-P-C4' energy: -151.448
flat angles P-C4'-P energy: -121.078
tors. eta vs tors. theta energy: -245.179
Dist. restrs. and SS energy: 11.365 (S_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: 344
Temperature: 1.150000
Total energy: -2385.021992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.021992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.391694 (E_RNA)
where:
Base-Base interactions energy: -1717.692
where: short stacking energy: -696.714
Base-Backbone interact. energy: -2.885
local terms energy: -676.814038
where:
bonds (distance) C4'-P energy: -116.422
bonds (distance) P-C4' energy: -108.927
flat angles C4'-P-C4' energy: -150.160
flat angles P-C4'-P energy: -84.846
tors. eta vs tors. theta energy: -216.460
Dist. restrs. and SS energy: 12.370 (S_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: 344
Temperature: 1.200000
Total energy: -2323.909982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.909982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.500584 (E_RNA)
where:
Base-Base interactions energy: -1639.628
where: short stacking energy: -660.606
Base-Backbone interact. energy: -2.798
local terms energy: -689.074865
where:
bonds (distance) C4'-P energy: -111.713
bonds (distance) P-C4' energy: -126.259
flat angles C4'-P-C4' energy: -150.415
flat angles P-C4'-P energy: -99.092
tors. eta vs tors. theta energy: -201.596
Dist. restrs. and SS energy: 7.591 (S_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: 344
Temperature: 1.250000
Total energy: -2247.296285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.296285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.765862 (E_RNA)
where:
Base-Base interactions energy: -1630.460
where: short stacking energy: -670.043
Base-Backbone interact. energy: 0.068
local terms energy: -624.373644
where:
bonds (distance) C4'-P energy: -92.326
bonds (distance) P-C4' energy: -86.876
flat angles C4'-P-C4' energy: -142.618
flat angles P-C4'-P energy: -94.262
tors. eta vs tors. theta energy: -208.292
Dist. restrs. and SS energy: 7.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -2201.061060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.061060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.311236 (E_RNA)
where:
Base-Base interactions energy: -1575.202
where: short stacking energy: -630.810
Base-Backbone interact. energy: -3.547
local terms energy: -632.562058
where:
bonds (distance) C4'-P energy: -113.786
bonds (distance) P-C4' energy: -98.470
flat angles C4'-P-C4' energy: -130.036
flat angles P-C4'-P energy: -85.271
tors. eta vs tors. theta energy: -204.999
Dist. restrs. and SS energy: 10.250 (S_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: 344
Temperature: 1.350000
Total energy: -2036.905327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.905327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.859836 (E_RNA)
where:
Base-Base interactions energy: -1464.196
where: short stacking energy: -590.543
Base-Backbone interact. energy: 3.603
local terms energy: -588.267545
where:
bonds (distance) C4'-P energy: -111.134
bonds (distance) P-C4' energy: -108.472
flat angles C4'-P-C4' energy: -116.252
flat angles P-C4'-P energy: -83.065
tors. eta vs tors. theta energy: -169.345
Dist. restrs. and SS energy: 11.955 (S_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: 345
Temperature: 0.900000
Total energy: -2825.662056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.662056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.060014 (E_RNA)
where:
Base-Base interactions energy: -2001.969
where: short stacking energy: -829.515
Base-Backbone interact. energy: -1.691
local terms energy: -829.399395
where:
bonds (distance) C4'-P energy: -136.643
bonds (distance) P-C4' energy: -139.805
flat angles C4'-P-C4' energy: -170.519
flat angles P-C4'-P energy: -122.736
tors. eta vs tors. theta energy: -259.697
Dist. restrs. and SS energy: 7.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2717.411201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.411201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.370037 (E_RNA)
where:
Base-Base interactions energy: -1946.301
where: short stacking energy: -773.161
Base-Backbone interact. energy: -0.591
local terms energy: -782.478110
where:
bonds (distance) C4'-P energy: -123.098
bonds (distance) P-C4' energy: -138.562
flat angles C4'-P-C4' energy: -170.073
flat angles P-C4'-P energy: -119.016
tors. eta vs tors. theta energy: -231.729
Dist. restrs. and SS energy: 11.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2630.356401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.356401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.072263 (E_RNA)
where:
Base-Base interactions energy: -1863.717
where: short stacking energy: -772.079
Base-Backbone interact. energy: -3.952
local terms energy: -769.403483
where:
bonds (distance) C4'-P energy: -117.853
bonds (distance) P-C4' energy: -141.444
flat angles C4'-P-C4' energy: -165.940
flat angles P-C4'-P energy: -106.640
tors. eta vs tors. theta energy: -237.527
Dist. restrs. and SS energy: 6.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2566.375812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.375812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.532000 (E_RNA)
where:
Base-Base interactions energy: -1820.764
where: short stacking energy: -747.966
Base-Backbone interact. energy: -3.657
local terms energy: -753.111809
where:
bonds (distance) C4'-P energy: -126.283
bonds (distance) P-C4' energy: -134.582
flat angles C4'-P-C4' energy: -157.550
flat angles P-C4'-P energy: -107.210
tors. eta vs tors. theta energy: -227.486
Dist. restrs. and SS energy: 11.156 (S_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: 345
Temperature: 1.100000
Total energy: -2505.508072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.508072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.734117 (E_RNA)
where:
Base-Base interactions energy: -1774.643
where: short stacking energy: -735.644
Base-Backbone interact. energy: 0.847
local terms energy: -748.938611
where:
bonds (distance) C4'-P energy: -134.552
bonds (distance) P-C4' energy: -118.593
flat angles C4'-P-C4' energy: -150.353
flat angles P-C4'-P energy: -105.857
tors. eta vs tors. theta energy: -239.584
Dist. restrs. and SS energy: 17.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2400.499983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.499983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.724474 (E_RNA)
where:
Base-Base interactions energy: -1724.345
where: short stacking energy: -681.743
Base-Backbone interact. energy: -2.382
local terms energy: -681.997693
where:
bonds (distance) C4'-P energy: -114.874
bonds (distance) P-C4' energy: -123.680
flat angles C4'-P-C4' energy: -134.039
flat angles P-C4'-P energy: -105.361
tors. eta vs tors. theta energy: -204.043
Dist. restrs. and SS energy: 8.224 (S_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: 345
Temperature: 1.200000
Total energy: -2339.862416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.862416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.755688 (E_RNA)
where:
Base-Base interactions energy: -1660.241
where: short stacking energy: -672.048
Base-Backbone interact. energy: -1.213
local terms energy: -685.301481
where:
bonds (distance) C4'-P energy: -116.879
bonds (distance) P-C4' energy: -122.439
flat angles C4'-P-C4' energy: -145.481
flat angles P-C4'-P energy: -100.353
tors. eta vs tors. theta energy: -200.150
Dist. restrs. and SS energy: 6.893 (S_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: 345
Temperature: 1.250000
Total energy: -2255.568235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.568235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.412241 (E_RNA)
where:
Base-Base interactions energy: -1596.427
where: short stacking energy: -665.069
Base-Backbone interact. energy: 1.757
local terms energy: -669.742469
where:
bonds (distance) C4'-P energy: -122.200
bonds (distance) P-C4' energy: -108.705
flat angles C4'-P-C4' energy: -138.221
flat angles P-C4'-P energy: -86.210
tors. eta vs tors. theta energy: -214.406
Dist. restrs. and SS energy: 8.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -2167.589035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.589035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.085535 (E_RNA)
where:
Base-Base interactions energy: -1556.543
where: short stacking energy: -640.388
Base-Backbone interact. energy: 3.478
local terms energy: -625.020010
where:
bonds (distance) C4'-P energy: -107.867
bonds (distance) P-C4' energy: -96.314
flat angles C4'-P-C4' energy: -136.733
flat angles P-C4'-P energy: -97.903
tors. eta vs tors. theta energy: -186.203
Dist. restrs. and SS energy: 10.496 (S_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: 345
Temperature: 1.350000
Total energy: -2073.580953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.580953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.082457 (E_RNA)
where:
Base-Base interactions energy: -1479.352
where: short stacking energy: -566.904
Base-Backbone interact. energy: 2.402
local terms energy: -608.133063
where:
bonds (distance) C4'-P energy: -108.639
bonds (distance) P-C4' energy: -116.367
flat angles C4'-P-C4' energy: -124.986
flat angles P-C4'-P energy: -86.460
tors. eta vs tors. theta energy: -171.680
Dist. restrs. and SS energy: 11.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2763.699369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.699369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.326732 (E_RNA)
where:
Base-Base interactions energy: -1951.721
where: short stacking energy: -783.527
Base-Backbone interact. energy: -1.793
local terms energy: -820.812477
where:
bonds (distance) C4'-P energy: -139.871
bonds (distance) P-C4' energy: -148.179
flat angles C4'-P-C4' energy: -169.407
flat angles P-C4'-P energy: -120.147
tors. eta vs tors. theta energy: -243.208
Dist. restrs. and SS energy: 10.627 (S_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: 346
Temperature: 0.950000
Total energy: -2767.527478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.527478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.383713 (E_RNA)
where:
Base-Base interactions energy: -1960.674
where: short stacking energy: -810.092
Base-Backbone interact. energy: -2.183
local terms energy: -813.527156
where:
bonds (distance) C4'-P energy: -141.975
bonds (distance) P-C4' energy: -128.215
flat angles C4'-P-C4' energy: -171.840
flat angles P-C4'-P energy: -115.903
tors. eta vs tors. theta energy: -255.594
Dist. restrs. and SS energy: 8.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2615.533433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.533433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.994349 (E_RNA)
where:
Base-Base interactions energy: -1880.241
where: short stacking energy: -760.492
Base-Backbone interact. energy: 0.450
local terms energy: -742.203427
where:
bonds (distance) C4'-P energy: -104.540
bonds (distance) P-C4' energy: -134.222
flat angles C4'-P-C4' energy: -150.679
flat angles P-C4'-P energy: -115.320
tors. eta vs tors. theta energy: -237.443
Dist. restrs. and SS energy: 6.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2570.550176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.550176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.276024 (E_RNA)
where:
Base-Base interactions energy: -1812.033
where: short stacking energy: -766.841
Base-Backbone interact. energy: -0.874
local terms energy: -769.369592
where:
bonds (distance) C4'-P energy: -141.500
bonds (distance) P-C4' energy: -123.128
flat angles C4'-P-C4' energy: -154.598
flat angles P-C4'-P energy: -116.544
tors. eta vs tors. theta energy: -233.600
Dist. restrs. and SS energy: 11.726 (S_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: 346
Temperature: 1.100000
Total energy: -2522.809952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.809952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.133978 (E_RNA)
where:
Base-Base interactions energy: -1796.509
where: short stacking energy: -732.114
Base-Backbone interact. energy: -0.788
local terms energy: -734.836993
where:
bonds (distance) C4'-P energy: -113.839
bonds (distance) P-C4' energy: -122.462
flat angles C4'-P-C4' energy: -157.467
flat angles P-C4'-P energy: -108.292
tors. eta vs tors. theta energy: -232.777
Dist. restrs. and SS energy: 9.324 (S_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: 346
Temperature: 1.150000
Total energy: -2399.739106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.739106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.399192 (E_RNA)
where:
Base-Base interactions energy: -1716.106
where: short stacking energy: -704.412
Base-Backbone interact. energy: 7.191
local terms energy: -705.484014
where:
bonds (distance) C4'-P energy: -125.870
bonds (distance) P-C4' energy: -124.550
flat angles C4'-P-C4' energy: -145.700
flat angles P-C4'-P energy: -92.135
tors. eta vs tors. theta energy: -217.229
Dist. restrs. and SS energy: 14.660 (S_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: 346
Temperature: 1.200000
Total energy: -2264.905815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.905815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.149727 (E_RNA)
where:
Base-Base interactions energy: -1598.168
where: short stacking energy: -628.639
Base-Backbone interact. energy: 1.005
local terms energy: -672.986672
where:
bonds (distance) C4'-P energy: -127.565
bonds (distance) P-C4' energy: -128.843
flat angles C4'-P-C4' energy: -131.271
flat angles P-C4'-P energy: -92.313
tors. eta vs tors. theta energy: -192.995
Dist. restrs. and SS energy: 5.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2297.726173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.726173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.561253 (E_RNA)
where:
Base-Base interactions energy: -1628.487
where: short stacking energy: -682.505
Base-Backbone interact. energy: -1.384
local terms energy: -675.689919
where:
bonds (distance) C4'-P energy: -119.169
bonds (distance) P-C4' energy: -105.674
flat angles C4'-P-C4' energy: -139.619
flat angles P-C4'-P energy: -91.610
tors. eta vs tors. theta energy: -219.619
Dist. restrs. and SS energy: 7.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -2153.183883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.183883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.373567 (E_RNA)
where:
Base-Base interactions energy: -1553.913
where: short stacking energy: -638.198
Base-Backbone interact. energy: -2.600
local terms energy: -607.860550
where:
bonds (distance) C4'-P energy: -103.181
bonds (distance) P-C4' energy: -108.320
flat angles C4'-P-C4' energy: -137.725
flat angles P-C4'-P energy: -69.439
tors. eta vs tors. theta energy: -189.196
Dist. restrs. and SS energy: 11.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -2011.225941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.225941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.196066 (E_RNA)
where:
Base-Base interactions energy: -1411.770
where: short stacking energy: -551.157
Base-Backbone interact. energy: -1.447
local terms energy: -610.978817
where:
bonds (distance) C4'-P energy: -111.619
bonds (distance) P-C4' energy: -107.503
flat angles C4'-P-C4' energy: -135.866
flat angles P-C4'-P energy: -86.569
tors. eta vs tors. theta energy: -169.422
Dist. restrs. and SS energy: 12.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2776.319917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.319917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.274994 (E_RNA)
where:
Base-Base interactions energy: -1991.034
where: short stacking energy: -792.897
Base-Backbone interact. energy: -3.907
local terms energy: -792.334289
where:
bonds (distance) C4'-P energy: -129.646
bonds (distance) P-C4' energy: -143.103
flat angles C4'-P-C4' energy: -162.311
flat angles P-C4'-P energy: -112.741
tors. eta vs tors. theta energy: -244.533
Dist. restrs. and SS energy: 10.955 (S_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: 347
Temperature: 0.950000
Total energy: -2779.911077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.911077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.283217 (E_RNA)
where:
Base-Base interactions energy: -1965.436
where: short stacking energy: -810.822
Base-Backbone interact. energy: 0.205
local terms energy: -823.052347
where:
bonds (distance) C4'-P energy: -150.743
bonds (distance) P-C4' energy: -128.162
flat angles C4'-P-C4' energy: -173.822
flat angles P-C4'-P energy: -117.903
tors. eta vs tors. theta energy: -252.422
Dist. restrs. and SS energy: 8.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2631.994843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.994843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.379834 (E_RNA)
where:
Base-Base interactions energy: -1878.151
where: short stacking energy: -775.956
Base-Backbone interact. energy: -3.920
local terms energy: -756.308176
where:
bonds (distance) C4'-P energy: -127.196
bonds (distance) P-C4' energy: -132.091
flat angles C4'-P-C4' energy: -153.457
flat angles P-C4'-P energy: -105.749
tors. eta vs tors. theta energy: -237.815
Dist. restrs. and SS energy: 6.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2555.461394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.461394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.831935 (E_RNA)
where:
Base-Base interactions energy: -1836.930
where: short stacking energy: -756.613
Base-Backbone interact. energy: -2.216
local terms energy: -726.686180
where:
bonds (distance) C4'-P energy: -117.105
bonds (distance) P-C4' energy: -134.418
flat angles C4'-P-C4' energy: -145.558
flat angles P-C4'-P energy: -97.995
tors. eta vs tors. theta energy: -231.610
Dist. restrs. and SS energy: 10.371 (S_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: 347
Temperature: 1.100000
Total energy: -2500.861513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.861513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.684616 (E_RNA)
where:
Base-Base interactions energy: -1789.222
where: short stacking energy: -718.952
Base-Backbone interact. energy: -1.802
local terms energy: -722.660542
where:
bonds (distance) C4'-P energy: -120.546
bonds (distance) P-C4' energy: -137.891
flat angles C4'-P-C4' energy: -140.694
flat angles P-C4'-P energy: -93.867
tors. eta vs tors. theta energy: -229.662
Dist. restrs. and SS energy: 12.823 (S_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: 347
Temperature: 1.150000
Total energy: -2435.008003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.008003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.997984 (E_RNA)
where:
Base-Base interactions energy: -1732.913
where: short stacking energy: -714.607
Base-Backbone interact. energy: 0.051
local terms energy: -716.136391
where:
bonds (distance) C4'-P energy: -112.229
bonds (distance) P-C4' energy: -117.489
flat angles C4'-P-C4' energy: -156.544
flat angles P-C4'-P energy: -98.654
tors. eta vs tors. theta energy: -231.219
Dist. restrs. and SS energy: 13.990 (S_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: 347
Temperature: 1.200000
Total energy: -2265.276754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.276754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.805343 (E_RNA)
where:
Base-Base interactions energy: -1610.632
where: short stacking energy: -661.600
Base-Backbone interact. energy: -0.686
local terms energy: -662.487133
where:
bonds (distance) C4'-P energy: -101.427
bonds (distance) P-C4' energy: -119.301
flat angles C4'-P-C4' energy: -142.422
flat angles P-C4'-P energy: -104.744
tors. eta vs tors. theta energy: -194.592
Dist. restrs. and SS energy: 8.529 (S_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: 347
Temperature: 1.250000
Total energy: -2272.864798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.864798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.009474 (E_RNA)
where:
Base-Base interactions energy: -1602.758
where: short stacking energy: -656.590
Base-Backbone interact. energy: -1.796
local terms energy: -678.455003
where:
bonds (distance) C4'-P energy: -114.696
bonds (distance) P-C4' energy: -125.017
flat angles C4'-P-C4' energy: -141.230
flat angles P-C4'-P energy: -86.515
tors. eta vs tors. theta energy: -210.997
Dist. restrs. and SS energy: 10.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -2149.707917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.707917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.023208 (E_RNA)
where:
Base-Base interactions energy: -1560.757
where: short stacking energy: -627.352
Base-Backbone interact. energy: -0.245
local terms energy: -601.020444
where:
bonds (distance) C4'-P energy: -109.264
bonds (distance) P-C4' energy: -97.106
flat angles C4'-P-C4' energy: -131.128
flat angles P-C4'-P energy: -86.382
tors. eta vs tors. theta energy: -177.141
Dist. restrs. and SS energy: 12.315 (S_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: 347
Temperature: 1.350000
Total energy: -2072.316657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.316657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.211800 (E_RNA)
where:
Base-Base interactions energy: -1485.685
where: short stacking energy: -578.256
Base-Backbone interact. energy: -3.820
local terms energy: -592.707272
where:
bonds (distance) C4'-P energy: -121.467
bonds (distance) P-C4' energy: -106.819
flat angles C4'-P-C4' energy: -117.861
flat angles P-C4'-P energy: -79.187
tors. eta vs tors. theta energy: -167.373
Dist. restrs. and SS energy: 9.895 (S_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: 348
Temperature: 0.900000
Total energy: -2799.925648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.925648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.382872 (E_RNA)
where:
Base-Base interactions energy: -1983.301
where: short stacking energy: -818.911
Base-Backbone interact. energy: -3.432
local terms energy: -823.650320
where:
bonds (distance) C4'-P energy: -132.974
bonds (distance) P-C4' energy: -148.310
flat angles C4'-P-C4' energy: -165.854
flat angles P-C4'-P energy: -119.007
tors. eta vs tors. theta energy: -257.505
Dist. restrs. and SS energy: 10.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2713.900900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.900900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.201665 (E_RNA)
where:
Base-Base interactions energy: -1923.173
where: short stacking energy: -779.342
Base-Backbone interact. energy: 2.746
local terms energy: -800.774594
where:
bonds (distance) C4'-P energy: -143.441
bonds (distance) P-C4' energy: -134.383
flat angles C4'-P-C4' energy: -161.844
flat angles P-C4'-P energy: -112.963
tors. eta vs tors. theta energy: -248.143
Dist. restrs. and SS energy: 7.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2631.961944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.961944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.797767 (E_RNA)
where:
Base-Base interactions energy: -1861.475
where: short stacking energy: -737.869
Base-Backbone interact. energy: -2.815
local terms energy: -773.507704
where:
bonds (distance) C4'-P energy: -131.865
bonds (distance) P-C4' energy: -134.476
flat angles C4'-P-C4' energy: -152.950
flat angles P-C4'-P energy: -120.998
tors. eta vs tors. theta energy: -233.218
Dist. restrs. and SS energy: 5.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2582.013819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.013819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.423708 (E_RNA)
where:
Base-Base interactions energy: -1817.593
where: short stacking energy: -734.310
Base-Backbone interact. energy: 0.269
local terms energy: -779.100531
where:
bonds (distance) C4'-P energy: -139.660
bonds (distance) P-C4' energy: -139.798
flat angles C4'-P-C4' energy: -157.900
flat angles P-C4'-P energy: -107.453
tors. eta vs tors. theta energy: -234.289
Dist. restrs. and SS energy: 14.410 (S_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: 348
Temperature: 1.100000
Total energy: -2511.402224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.402224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.200798 (E_RNA)
where:
Base-Base interactions energy: -1788.931
where: short stacking energy: -701.188
Base-Backbone interact. energy: -1.548
local terms energy: -730.721545
where:
bonds (distance) C4'-P energy: -101.862
bonds (distance) P-C4' energy: -138.011
flat angles C4'-P-C4' energy: -151.559
flat angles P-C4'-P energy: -108.374
tors. eta vs tors. theta energy: -230.916
Dist. restrs. and SS energy: 9.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2426.960236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.960236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.767482 (E_RNA)
where:
Base-Base interactions energy: -1733.436
where: short stacking energy: -709.301
Base-Backbone interact. energy: 2.534
local terms energy: -702.864644
where:
bonds (distance) C4'-P energy: -122.998
bonds (distance) P-C4' energy: -113.202
flat angles C4'-P-C4' energy: -139.325
flat angles P-C4'-P energy: -112.516
tors. eta vs tors. theta energy: -214.824
Dist. restrs. and SS energy: 6.807 (S_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: 348
Temperature: 1.200000
Total energy: -2309.774024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.774024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.368495 (E_RNA)
where:
Base-Base interactions energy: -1633.515
where: short stacking energy: -665.268
Base-Backbone interact. energy: 0.444
local terms energy: -684.297666
where:
bonds (distance) C4'-P energy: -122.838
bonds (distance) P-C4' energy: -114.457
flat angles C4'-P-C4' energy: -133.418
flat angles P-C4'-P energy: -99.174
tors. eta vs tors. theta energy: -214.410
Dist. restrs. and SS energy: 7.594 (S_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: 348
Temperature: 1.250000
Total energy: -2177.695484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.695484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.232799 (E_RNA)
where:
Base-Base interactions energy: -1572.633
where: short stacking energy: -638.687
Base-Backbone interact. energy: -2.702
local terms energy: -615.897864
where:
bonds (distance) C4'-P energy: -116.729
bonds (distance) P-C4' energy: -97.791
flat angles C4'-P-C4' energy: -130.220
flat angles P-C4'-P energy: -82.582
tors. eta vs tors. theta energy: -188.577
Dist. restrs. and SS energy: 13.537 (S_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: 348
Temperature: 1.300000
Total energy: -2114.161401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.161401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.285488 (E_RNA)
where:
Base-Base interactions energy: -1510.740
where: short stacking energy: -618.515
Base-Backbone interact. energy: -1.949
local terms energy: -610.596834
where:
bonds (distance) C4'-P energy: -105.590
bonds (distance) P-C4' energy: -107.083
flat angles C4'-P-C4' energy: -137.911
flat angles P-C4'-P energy: -81.930
tors. eta vs tors. theta energy: -178.083
Dist. restrs. and SS energy: 9.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -2066.738841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.847771 (E_RNA)
where:
Base-Base interactions energy: -1487.071
where: short stacking energy: -596.709
Base-Backbone interact. energy: -1.598
local terms energy: -590.178680
where:
bonds (distance) C4'-P energy: -106.366
bonds (distance) P-C4' energy: -100.569
flat angles C4'-P-C4' energy: -119.657
flat angles P-C4'-P energy: -78.139
tors. eta vs tors. theta energy: -185.447
Dist. restrs. and SS energy: 12.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2799.279964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.279964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.774618 (E_RNA)
where:
Base-Base interactions energy: -1979.560
where: short stacking energy: -819.689
Base-Backbone interact. energy: -2.096
local terms energy: -827.118386
where:
bonds (distance) C4'-P energy: -123.022
bonds (distance) P-C4' energy: -145.523
flat angles C4'-P-C4' energy: -170.694
flat angles P-C4'-P energy: -135.899
tors. eta vs tors. theta energy: -251.980
Dist. restrs. and SS energy: 9.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2712.197839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.197839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.668382 (E_RNA)
where:
Base-Base interactions energy: -1935.786
where: short stacking energy: -777.667
Base-Backbone interact. energy: 0.808
local terms energy: -786.691315
where:
bonds (distance) C4'-P energy: -137.576
bonds (distance) P-C4' energy: -122.828
flat angles C4'-P-C4' energy: -164.561
flat angles P-C4'-P energy: -122.338
tors. eta vs tors. theta energy: -239.388
Dist. restrs. and SS energy: 9.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2646.459922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.459922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.970807 (E_RNA)
where:
Base-Base interactions energy: -1879.606
where: short stacking energy: -750.647
Base-Backbone interact. energy: -0.486
local terms energy: -774.879059
where:
bonds (distance) C4'-P energy: -141.606
bonds (distance) P-C4' energy: -138.951
flat angles C4'-P-C4' energy: -154.663
flat angles P-C4'-P energy: -101.715
tors. eta vs tors. theta energy: -237.944
Dist. restrs. and SS energy: 8.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2575.497950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.497950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.277791 (E_RNA)
where:
Base-Base interactions energy: -1842.095
where: short stacking energy: -756.315
Base-Backbone interact. energy: -2.584
local terms energy: -745.599289
where:
bonds (distance) C4'-P energy: -125.368
bonds (distance) P-C4' energy: -139.342
flat angles C4'-P-C4' energy: -150.095
flat angles P-C4'-P energy: -95.188
tors. eta vs tors. theta energy: -235.606
Dist. restrs. and SS energy: 14.780 (S_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: 349
Temperature: 1.100000
Total energy: -2471.688555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.688555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.632440 (E_RNA)
where:
Base-Base interactions energy: -1755.408
where: short stacking energy: -726.874
Base-Backbone interact. energy: -2.316
local terms energy: -722.908398
where:
bonds (distance) C4'-P energy: -113.919
bonds (distance) P-C4' energy: -120.066
flat angles C4'-P-C4' energy: -162.016
flat angles P-C4'-P energy: -102.396
tors. eta vs tors. theta energy: -224.511
Dist. restrs. and SS energy: 8.944 (S_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: 349
Temperature: 1.150000
Total energy: -2408.003937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.003937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.281750 (E_RNA)
where:
Base-Base interactions energy: -1721.636
where: short stacking energy: -704.748
Base-Backbone interact. energy: -2.966
local terms energy: -692.680149
where:
bonds (distance) C4'-P energy: -124.844
bonds (distance) P-C4' energy: -124.145
flat angles C4'-P-C4' energy: -148.132
flat angles P-C4'-P energy: -87.970
tors. eta vs tors. theta energy: -207.590
Dist. restrs. and SS energy: 9.278 (S_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: 349
Temperature: 1.200000
Total energy: -2266.376751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.376751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.948611 (E_RNA)
where:
Base-Base interactions energy: -1590.752
where: short stacking energy: -632.272
Base-Backbone interact. energy: -4.151
local terms energy: -678.045660
where:
bonds (distance) C4'-P energy: -113.754
bonds (distance) P-C4' energy: -138.901
flat angles C4'-P-C4' energy: -139.900
flat angles P-C4'-P energy: -87.500
tors. eta vs tors. theta energy: -197.990
Dist. restrs. and SS energy: 6.572 (S_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: -2248.974780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.974780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.130582 (E_RNA)
where:
Base-Base interactions energy: -1589.834
where: short stacking energy: -642.447
Base-Backbone interact. energy: -0.614
local terms energy: -670.682719
where:
bonds (distance) C4'-P energy: -107.011
bonds (distance) P-C4' energy: -126.871
flat angles C4'-P-C4' energy: -141.305
flat angles P-C4'-P energy: -97.151
tors. eta vs tors. theta energy: -198.344
Dist. restrs. and SS energy: 12.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -2118.739473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.739473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.832213 (E_RNA)
where:
Base-Base interactions energy: -1505.222
where: short stacking energy: -596.418
Base-Backbone interact. energy: -3.179
local terms energy: -626.431281
where:
bonds (distance) C4'-P energy: -110.498
bonds (distance) P-C4' energy: -127.752
flat angles C4'-P-C4' energy: -138.082
flat angles P-C4'-P energy: -85.565
tors. eta vs tors. theta energy: -164.534
Dist. restrs. and SS energy: 16.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -2143.563398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.563398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.836199 (E_RNA)
where:
Base-Base interactions energy: -1545.747
where: short stacking energy: -634.589
Base-Backbone interact. energy: 1.281
local terms energy: -616.370300
where:
bonds (distance) C4'-P energy: -107.277
bonds (distance) P-C4' energy: -99.803
flat angles C4'-P-C4' energy: -141.509
flat angles P-C4'-P energy: -60.621
tors. eta vs tors. theta energy: -207.161
Dist. restrs. and SS energy: 17.273 (S_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: -2815.088105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.088105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.175245 (E_RNA)
where:
Base-Base interactions energy: -2008.328
where: short stacking energy: -830.748
Base-Backbone interact. energy: -3.403
local terms energy: -813.443930
where:
bonds (distance) C4'-P energy: -143.170
bonds (distance) P-C4' energy: -144.082
flat angles C4'-P-C4' energy: -162.716
flat angles P-C4'-P energy: -107.857
tors. eta vs tors. theta energy: -255.620
Dist. restrs. and SS energy: 10.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2690.096821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.096821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.259409 (E_RNA)
where:
Base-Base interactions energy: -1901.026
where: short stacking energy: -784.836
Base-Backbone interact. energy: 0.581
local terms energy: -800.814526
where:
bonds (distance) C4'-P energy: -144.881
bonds (distance) P-C4' energy: -122.280
flat angles C4'-P-C4' energy: -173.867
flat angles P-C4'-P energy: -117.051
tors. eta vs tors. theta energy: -242.737
Dist. restrs. and SS energy: 11.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2626.573046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.573046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.378939 (E_RNA)
where:
Base-Base interactions energy: -1850.791
where: short stacking energy: -744.824
Base-Backbone interact. energy: -1.802
local terms energy: -778.785567
where:
bonds (distance) C4'-P energy: -138.649
bonds (distance) P-C4' energy: -149.101
flat angles C4'-P-C4' energy: -163.409
flat angles P-C4'-P energy: -108.326
tors. eta vs tors. theta energy: -219.300
Dist. restrs. and SS energy: 4.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2588.125984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.125984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.166772 (E_RNA)
where:
Base-Base interactions energy: -1835.785
where: short stacking energy: -747.206
Base-Backbone interact. energy: 1.750
local terms energy: -764.131877
where:
bonds (distance) C4'-P energy: -140.489
bonds (distance) P-C4' energy: -131.432
flat angles C4'-P-C4' energy: -163.178
flat angles P-C4'-P energy: -98.650
tors. eta vs tors. theta energy: -230.381
Dist. restrs. and SS energy: 10.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2462.266271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.266271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.374966 (E_RNA)
where:
Base-Base interactions energy: -1721.873
where: short stacking energy: -712.441
Base-Backbone interact. energy: 1.741
local terms energy: -750.242611
where:
bonds (distance) C4'-P energy: -138.035
bonds (distance) P-C4' energy: -132.753
flat angles C4'-P-C4' energy: -156.108
flat angles P-C4'-P energy: -106.464
tors. eta vs tors. theta energy: -216.883
Dist. restrs. and SS energy: 8.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2395.393056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.393056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.236872 (E_RNA)
where:
Base-Base interactions energy: -1690.266
where: short stacking energy: -680.147
Base-Backbone interact. energy: -0.063
local terms energy: -714.907490
where:
bonds (distance) C4'-P energy: -121.155
bonds (distance) P-C4' energy: -131.319
flat angles C4'-P-C4' energy: -148.100
flat angles P-C4'-P energy: -102.819
tors. eta vs tors. theta energy: -211.514
Dist. restrs. and SS energy: 9.844 (S_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: 350
Temperature: 1.200000
Total energy: -2306.409173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.409173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.123035 (E_RNA)
where:
Base-Base interactions energy: -1616.185
where: short stacking energy: -669.592
Base-Backbone interact. energy: -1.206
local terms energy: -693.731781
where:
bonds (distance) C4'-P energy: -126.380
bonds (distance) P-C4' energy: -123.109
flat angles C4'-P-C4' energy: -137.986
flat angles P-C4'-P energy: -100.811
tors. eta vs tors. theta energy: -205.446
Dist. restrs. and SS energy: 4.714 (S_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: -2254.933027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.933027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.783817 (E_RNA)
where:
Base-Base interactions energy: -1604.857
where: short stacking energy: -646.674
Base-Backbone interact. energy: -0.683
local terms energy: -662.243905
where:
bonds (distance) C4'-P energy: -118.837
bonds (distance) P-C4' energy: -117.228
flat angles C4'-P-C4' energy: -137.623
flat angles P-C4'-P energy: -94.434
tors. eta vs tors. theta energy: -194.122
Dist. restrs. and SS energy: 12.851 (S_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: 350
Temperature: 1.300000
Total energy: -2107.728245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.728245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.887344 (E_RNA)
where:
Base-Base interactions energy: -1508.938
where: short stacking energy: -602.587
Base-Backbone interact. energy: -0.018
local terms energy: -609.930665
where:
bonds (distance) C4'-P energy: -99.361
bonds (distance) P-C4' energy: -118.022
flat angles C4'-P-C4' energy: -131.792
flat angles P-C4'-P energy: -82.393
tors. eta vs tors. theta energy: -178.362
Dist. restrs. and SS energy: 11.159 (S_DIST_RNA)
chem. 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: -2151.219787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.219787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.956204 (E_RNA)
where:
Base-Base interactions energy: -1546.837
where: short stacking energy: -624.821
Base-Backbone interact. energy: -2.071
local terms energy: -616.048231
where:
bonds (distance) C4'-P energy: -105.708
bonds (distance) P-C4' energy: -91.784
flat angles C4'-P-C4' energy: -144.352
flat angles P-C4'-P energy: -75.906
tors. eta vs tors. theta energy: -198.299
Dist. restrs. and SS energy: 13.736 (S_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: -2799.806151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.806151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.963390 (E_RNA)
where:
Base-Base interactions energy: -1987.990
where: short stacking energy: -808.257
Base-Backbone interact. energy: -0.637
local terms energy: -819.336031
where:
bonds (distance) C4'-P energy: -145.621
bonds (distance) P-C4' energy: -142.978
flat angles C4'-P-C4' energy: -166.536
flat angles P-C4'-P energy: -110.735
tors. eta vs tors. theta energy: -253.467
Dist. restrs. and SS energy: 8.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2686.968139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.968139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.265293 (E_RNA)
where:
Base-Base interactions energy: -1889.150
where: short stacking energy: -793.602
Base-Backbone interact. energy: -3.393
local terms energy: -803.721718
where:
bonds (distance) C4'-P energy: -136.358
bonds (distance) P-C4' energy: -150.023
flat angles C4'-P-C4' energy: -165.301
flat angles P-C4'-P energy: -98.469
tors. eta vs tors. theta energy: -253.571
Dist. restrs. and SS energy: 9.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2609.418779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.418779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.287463 (E_RNA)
where:
Base-Base interactions energy: -1840.767
where: short stacking energy: -741.488
Base-Backbone interact. energy: 0.744
local terms energy: -780.265003
where:
bonds (distance) C4'-P energy: -137.538
bonds (distance) P-C4' energy: -141.674
flat angles C4'-P-C4' energy: -153.444
flat angles P-C4'-P energy: -121.058
tors. eta vs tors. theta energy: -226.553
Dist. restrs. and SS energy: 10.869 (S_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: 351
Temperature: 1.050000
Total energy: -2507.390698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.390698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.881760 (E_RNA)
where:
Base-Base interactions energy: -1775.773
where: short stacking energy: -725.437
Base-Backbone interact. energy: -2.162
local terms energy: -737.946959
where:
bonds (distance) C4'-P energy: -136.132
bonds (distance) P-C4' energy: -120.758
flat angles C4'-P-C4' energy: -151.701
flat angles P-C4'-P energy: -112.121
tors. eta vs tors. theta energy: -217.234
Dist. restrs. and SS energy: 8.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2500.696095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.696095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.566198 (E_RNA)
where:
Base-Base interactions energy: -1813.536
where: short stacking energy: -723.276
Base-Backbone interact. energy: -2.498
local terms energy: -692.531764
where:
bonds (distance) C4'-P energy: -105.988
bonds (distance) P-C4' energy: -108.618
flat angles C4'-P-C4' energy: -145.573
flat angles P-C4'-P energy: -102.724
tors. eta vs tors. theta energy: -229.629
Dist. restrs. and SS energy: 7.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2424.247879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.247879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.331945 (E_RNA)
where:
Base-Base interactions energy: -1738.355
where: short stacking energy: -682.261
Base-Backbone interact. energy: -2.488
local terms energy: -695.489344
where:
bonds (distance) C4'-P energy: -131.289
bonds (distance) P-C4' energy: -115.737
flat angles C4'-P-C4' energy: -145.235
flat angles P-C4'-P energy: -93.252
tors. eta vs tors. theta energy: -209.977
Dist. restrs. and SS energy: 12.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2333.765122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.765122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.706542 (E_RNA)
where:
Base-Base interactions energy: -1647.904
where: short stacking energy: -682.508
Base-Backbone interact. energy: 0.486
local terms energy: -694.288637
where:
bonds (distance) C4'-P energy: -107.200
bonds (distance) P-C4' energy: -125.786
flat angles C4'-P-C4' energy: -145.444
flat angles P-C4'-P energy: -89.910
tors. eta vs tors. theta energy: -225.948
Dist. restrs. and SS energy: 7.941 (S_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: 351
Temperature: 1.250000
Total energy: -2276.218718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.218718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.871675 (E_RNA)
where:
Base-Base interactions energy: -1635.413
where: short stacking energy: -664.645
Base-Backbone interact. energy: -0.314
local terms energy: -654.144671
where:
bonds (distance) C4'-P energy: -120.468
bonds (distance) P-C4' energy: -111.106
flat angles C4'-P-C4' energy: -145.380
flat angles P-C4'-P energy: -74.386
tors. eta vs tors. theta energy: -202.804
Dist. restrs. and SS energy: 13.653 (S_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: 351
Temperature: 1.300000
Total energy: -2021.195715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.195715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.149093 (E_RNA)
where:
Base-Base interactions energy: -1420.582
where: short stacking energy: -564.591
Base-Backbone interact. energy: -2.847
local terms energy: -609.720203
where:
bonds (distance) C4'-P energy: -102.728
bonds (distance) P-C4' energy: -112.038
flat angles C4'-P-C4' energy: -133.103
flat angles P-C4'-P energy: -91.944
tors. eta vs tors. theta energy: -169.906
Dist. restrs. and SS energy: 11.953 (S_DIST_RNA)
chem. 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: -2131.951481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.951481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.332052 (E_RNA)
where:
Base-Base interactions energy: -1525.271
where: short stacking energy: -608.465
Base-Backbone interact. energy: 1.642
local terms energy: -625.703687
where:
bonds (distance) C4'-P energy: -107.999
bonds (distance) P-C4' energy: -123.225
flat angles C4'-P-C4' energy: -119.255
flat angles P-C4'-P energy: -79.010
tors. eta vs tors. theta energy: -196.215
Dist. restrs. and SS energy: 17.381 (S_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: -2795.028724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.028724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.415857 (E_RNA)
where:
Base-Base interactions energy: -1982.798
where: short stacking energy: -818.017
Base-Backbone interact. energy: -1.438
local terms energy: -818.179118
where:
bonds (distance) C4'-P energy: -141.225
bonds (distance) P-C4' energy: -139.846
flat angles C4'-P-C4' energy: -169.196
flat angles P-C4'-P energy: -110.946
tors. eta vs tors. theta energy: -256.966
Dist. restrs. and SS energy: 7.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2692.747558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.747558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.307669 (E_RNA)
where:
Base-Base interactions energy: -1913.144
where: short stacking energy: -798.602
Base-Backbone interact. energy: -2.190
local terms energy: -786.973786
where:
bonds (distance) C4'-P energy: -140.260
bonds (distance) P-C4' energy: -135.747
flat angles C4'-P-C4' energy: -157.935
flat angles P-C4'-P energy: -100.222
tors. eta vs tors. theta energy: -252.810
Dist. restrs. and SS energy: 9.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2617.200810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.200810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.962060 (E_RNA)
where:
Base-Base interactions energy: -1867.004
where: short stacking energy: -736.627
Base-Backbone interact. energy: 0.035
local terms energy: -756.992507
where:
bonds (distance) C4'-P energy: -127.956
bonds (distance) P-C4' energy: -138.269
flat angles C4'-P-C4' energy: -162.176
flat angles P-C4'-P energy: -106.221
tors. eta vs tors. theta energy: -222.371
Dist. restrs. and SS energy: 6.761 (S_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: -2531.800208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.800208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.380322 (E_RNA)
where:
Base-Base interactions energy: -1790.000
where: short stacking energy: -727.149
Base-Backbone interact. energy: -1.821
local terms energy: -752.559317
where:
bonds (distance) C4'-P energy: -122.509
bonds (distance) P-C4' energy: -127.999
flat angles C4'-P-C4' energy: -159.981
flat angles P-C4'-P energy: -117.489
tors. eta vs tors. theta energy: -224.581
Dist. restrs. and SS energy: 12.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2540.755130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.755130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.505715 (E_RNA)
where:
Base-Base interactions energy: -1817.762
where: short stacking energy: -739.240
Base-Backbone interact. energy: 0.337
local terms energy: -732.080129
where:
bonds (distance) C4'-P energy: -123.249
bonds (distance) P-C4' energy: -104.641
flat angles C4'-P-C4' energy: -157.190
flat angles P-C4'-P energy: -115.486
tors. eta vs tors. theta energy: -231.515
Dist. restrs. and SS energy: 8.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2448.284592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.284592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.517567 (E_RNA)
where:
Base-Base interactions energy: -1723.286
where: short stacking energy: -686.140
Base-Backbone interact. energy: 4.855
local terms energy: -741.085676
where:
bonds (distance) C4'-P energy: -112.342
bonds (distance) P-C4' energy: -132.594
flat angles C4'-P-C4' energy: -158.819
flat angles P-C4'-P energy: -111.269
tors. eta vs tors. theta energy: -226.062
Dist. restrs. and SS energy: 11.233 (S_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: 352
Temperature: 1.200000
Total energy: -2331.095636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.095636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.063814 (E_RNA)
where:
Base-Base interactions energy: -1643.216
where: short stacking energy: -664.446
Base-Backbone interact. energy: 0.380
local terms energy: -701.228069
where:
bonds (distance) C4'-P energy: -111.982
bonds (distance) P-C4' energy: -141.242
flat angles C4'-P-C4' energy: -149.340
flat angles P-C4'-P energy: -92.766
tors. eta vs tors. theta energy: -205.898
Dist. restrs. and SS energy: 12.968 (S_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: 352
Temperature: 1.250000
Total energy: -2315.617557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.617557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.563118 (E_RNA)
where:
Base-Base interactions energy: -1664.739
where: short stacking energy: -675.356
Base-Backbone interact. energy: -0.090
local terms energy: -667.734274
where:
bonds (distance) C4'-P energy: -105.405
bonds (distance) P-C4' energy: -126.596
flat angles C4'-P-C4' energy: -142.139
flat angles P-C4'-P energy: -92.722
tors. eta vs tors. theta energy: -200.872
Dist. restrs. and SS energy: 16.946 (S_DIST_RNA)
chem. 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: -2150.251888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.251888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.773936 (E_RNA)
where:
Base-Base interactions energy: -1564.491
where: short stacking energy: -632.548
Base-Backbone interact. energy: -0.993
local terms energy: -605.290239
where:
bonds (distance) C4'-P energy: -89.965
bonds (distance) P-C4' energy: -114.348
flat angles C4'-P-C4' energy: -140.088
flat angles P-C4'-P energy: -67.739
tors. eta vs tors. theta energy: -193.151
Dist. restrs. and SS energy: 20.522 (S_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: 352
Temperature: 1.350000
Total energy: -2055.720081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.720081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.298255 (E_RNA)
where:
Base-Base interactions energy: -1453.432
where: short stacking energy: -566.430
Base-Backbone interact. energy: -2.584
local terms energy: -617.282167
where:
bonds (distance) C4'-P energy: -130.235
bonds (distance) P-C4' energy: -98.040
flat angles C4'-P-C4' energy: -138.048
flat angles P-C4'-P energy: -84.521
tors. eta vs tors. theta energy: -166.438
Dist. restrs. and SS energy: 17.578 (S_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: -2797.618763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.618763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.265114 (E_RNA)
where:
Base-Base interactions energy: -1986.983
where: short stacking energy: -818.144
Base-Backbone interact. energy: -1.145
local terms energy: -818.137809
where:
bonds (distance) C4'-P energy: -130.308
bonds (distance) P-C4' energy: -147.405
flat angles C4'-P-C4' energy: -173.394
flat angles P-C4'-P energy: -112.418
tors. eta vs tors. theta energy: -254.613
Dist. restrs. and SS energy: 8.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2671.638350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.638350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.093914 (E_RNA)
where:
Base-Base interactions energy: -1903.644
where: short stacking energy: -788.896
Base-Backbone interact. energy: -3.478
local terms energy: -776.972869
where:
bonds (distance) C4'-P energy: -122.626
bonds (distance) P-C4' energy: -142.684
flat angles C4'-P-C4' energy: -151.706
flat angles P-C4'-P energy: -111.349
tors. eta vs tors. theta energy: -248.607
Dist. restrs. and SS energy: 12.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2613.968494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.968494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.308020 (E_RNA)
where:
Base-Base interactions energy: -1863.477
where: short stacking energy: -752.910
Base-Backbone interact. energy: 4.641
local terms energy: -762.472373
where:
bonds (distance) C4'-P energy: -149.236
bonds (distance) P-C4' energy: -115.588
flat angles C4'-P-C4' energy: -168.929
flat angles P-C4'-P energy: -111.309
tors. eta vs tors. theta energy: -217.410
Dist. restrs. and SS energy: 7.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2585.919075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.919075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.541750 (E_RNA)
where:
Base-Base interactions energy: -1830.591
where: short stacking energy: -731.497
Base-Backbone interact. energy: -1.402
local terms energy: -765.548384
where:
bonds (distance) C4'-P energy: -127.345
bonds (distance) P-C4' energy: -140.079
flat angles C4'-P-C4' energy: -164.064
flat angles P-C4'-P energy: -105.054
tors. eta vs tors. theta energy: -229.006
Dist. restrs. and SS energy: 11.623 (S_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: 353
Temperature: 1.100000
Total energy: -2483.354978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.354978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.356610 (E_RNA)
where:
Base-Base interactions energy: -1777.533
where: short stacking energy: -719.650
Base-Backbone interact. energy: -1.466
local terms energy: -718.358222
where:
bonds (distance) C4'-P energy: -115.375
bonds (distance) P-C4' energy: -115.847
flat angles C4'-P-C4' energy: -167.475
flat angles P-C4'-P energy: -90.159
tors. eta vs tors. theta energy: -229.503
Dist. restrs. and SS energy: 14.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2400.006349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.006349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.953774 (E_RNA)
where:
Base-Base interactions energy: -1700.941
where: short stacking energy: -684.008
Base-Backbone interact. energy: -0.165
local terms energy: -708.847908
where:
bonds (distance) C4'-P energy: -110.232
bonds (distance) P-C4' energy: -125.732
flat angles C4'-P-C4' energy: -143.199
flat angles P-C4'-P energy: -104.807
tors. eta vs tors. theta energy: -224.878
Dist. restrs. and SS energy: 9.947 (S_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: 353
Temperature: 1.200000
Total energy: -2321.651076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.651076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.681305 (E_RNA)
where:
Base-Base interactions energy: -1637.438
where: short stacking energy: -664.901
Base-Backbone interact. energy: -0.076
local terms energy: -693.166799
where:
bonds (distance) C4'-P energy: -114.431
bonds (distance) P-C4' energy: -127.775
flat angles C4'-P-C4' energy: -140.345
flat angles P-C4'-P energy: -95.748
tors. eta vs tors. theta energy: -214.867
Dist. restrs. and SS energy: 9.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2243.970161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.970161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.437243 (E_RNA)
where:
Base-Base interactions energy: -1581.438
where: short stacking energy: -664.415
Base-Backbone interact. energy: -4.208
local terms energy: -673.790643
where:
bonds (distance) C4'-P energy: -126.305
bonds (distance) P-C4' energy: -125.667
flat angles C4'-P-C4' energy: -146.775
flat angles P-C4'-P energy: -91.251
tors. eta vs tors. theta energy: -183.792
Dist. restrs. and SS energy: 15.467 (S_DIST_RNA)
chem. 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: -2174.103208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.103208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.721160 (E_RNA)
where:
Base-Base interactions energy: -1555.193
where: short stacking energy: -627.984
Base-Backbone interact. energy: -2.158
local terms energy: -632.369863
where:
bonds (distance) C4'-P energy: -113.799
bonds (distance) P-C4' energy: -96.544
flat angles C4'-P-C4' energy: -137.266
flat angles P-C4'-P energy: -94.536
tors. eta vs tors. theta energy: -190.225
Dist. restrs. and SS energy: 15.618 (S_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: 353
Temperature: 1.350000
Total energy: -2048.992004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.992004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.337462 (E_RNA)
where:
Base-Base interactions energy: -1477.099
where: short stacking energy: -582.378
Base-Backbone interact. energy: -3.205
local terms energy: -579.033281
where:
bonds (distance) C4'-P energy: -91.789
bonds (distance) P-C4' energy: -101.459
flat angles C4'-P-C4' energy: -135.292
flat angles P-C4'-P energy: -87.688
tors. eta vs tors. theta energy: -162.806
Dist. restrs. and SS energy: 10.345 (S_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: -2776.897565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.897565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.890710 (E_RNA)
where:
Base-Base interactions energy: -1960.613
where: short stacking energy: -832.159
Base-Backbone interact. energy: -2.454
local terms energy: -822.823280
where:
bonds (distance) C4'-P energy: -133.432
bonds (distance) P-C4' energy: -142.482
flat angles C4'-P-C4' energy: -170.414
flat angles P-C4'-P energy: -120.996
tors. eta vs tors. theta energy: -255.499
Dist. restrs. and SS energy: 8.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2706.429269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.429269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.322544 (E_RNA)
where:
Base-Base interactions energy: -1905.254
where: short stacking energy: -812.949
Base-Backbone interact. energy: -3.784
local terms energy: -806.284397
where:
bonds (distance) C4'-P energy: -138.289
bonds (distance) P-C4' energy: -131.418
flat angles C4'-P-C4' energy: -160.086
flat angles P-C4'-P energy: -122.410
tors. eta vs tors. theta energy: -254.082
Dist. restrs. and SS energy: 8.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2624.337981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.337981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.478324 (E_RNA)
where:
Base-Base interactions energy: -1870.906
where: short stacking energy: -766.616
Base-Backbone interact. energy: 3.393
local terms energy: -765.965001
where:
bonds (distance) C4'-P energy: -136.348
bonds (distance) P-C4' energy: -123.673
flat angles C4'-P-C4' energy: -162.932
flat angles P-C4'-P energy: -113.511
tors. eta vs tors. theta energy: -229.500
Dist. restrs. and SS energy: 9.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2558.331399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.331399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.818696 (E_RNA)
where:
Base-Base interactions energy: -1805.921
where: short stacking energy: -728.917
Base-Backbone interact. energy: -0.837
local terms energy: -764.060445
where:
bonds (distance) C4'-P energy: -132.242
bonds (distance) P-C4' energy: -124.247
flat angles C4'-P-C4' energy: -152.251
flat angles P-C4'-P energy: -121.536
tors. eta vs tors. theta energy: -233.785
Dist. restrs. and SS energy: 12.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2423.693311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.693311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.579404 (E_RNA)
where:
Base-Base interactions energy: -1748.259
where: short stacking energy: -723.280
Base-Backbone interact. energy: -0.422
local terms energy: -686.898792
where:
bonds (distance) C4'-P energy: -119.412
bonds (distance) P-C4' energy: -111.015
flat angles C4'-P-C4' energy: -136.505
flat angles P-C4'-P energy: -99.191
tors. eta vs tors. theta energy: -220.775
Dist. restrs. and SS energy: 11.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2378.275797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.275797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.894244 (E_RNA)
where:
Base-Base interactions energy: -1706.950
where: short stacking energy: -704.251
Base-Backbone interact. energy: -2.265
local terms energy: -683.679221
where:
bonds (distance) C4'-P energy: -115.334
bonds (distance) P-C4' energy: -96.811
flat angles C4'-P-C4' energy: -153.637
flat angles P-C4'-P energy: -102.058
tors. eta vs tors. theta energy: -215.839
Dist. restrs. and SS energy: 14.618 (S_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: 354
Temperature: 1.200000
Total energy: -2284.077604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.077604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.149978 (E_RNA)
where:
Base-Base interactions energy: -1630.121
where: short stacking energy: -678.424
Base-Backbone interact. energy: -2.637
local terms energy: -670.391106
where:
bonds (distance) C4'-P energy: -106.059
bonds (distance) P-C4' energy: -121.768
flat angles C4'-P-C4' energy: -138.047
flat angles P-C4'-P energy: -94.442
tors. eta vs tors. theta energy: -210.075
Dist. restrs. and SS energy: 19.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2318.422409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.422409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.036663 (E_RNA)
where:
Base-Base interactions energy: -1649.833
where: short stacking energy: -663.050
Base-Backbone interact. energy: -1.204
local terms energy: -680.999147
where:
bonds (distance) C4'-P energy: -124.360
bonds (distance) P-C4' energy: -120.566
flat angles C4'-P-C4' energy: -140.124
flat angles P-C4'-P energy: -92.990
tors. eta vs tors. theta energy: -202.959
Dist. restrs. and SS energy: 13.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -2163.791569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.791569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.336545 (E_RNA)
where:
Base-Base interactions energy: -1534.208
where: short stacking energy: -616.615
Base-Backbone interact. energy: -1.909
local terms energy: -641.219435
where:
bonds (distance) C4'-P energy: -92.239
bonds (distance) P-C4' energy: -116.399
flat angles C4'-P-C4' energy: -134.367
flat angles P-C4'-P energy: -94.043
tors. eta vs tors. theta energy: -204.170
Dist. restrs. and SS energy: 13.545 (S_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: 354
Temperature: 1.350000
Total energy: -2009.545680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.545680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.753509 (E_RNA)
where:
Base-Base interactions energy: -1438.604
where: short stacking energy: -549.424
Base-Backbone interact. energy: -1.492
local terms energy: -575.657305
where:
bonds (distance) C4'-P energy: -94.749
bonds (distance) P-C4' energy: -118.415
flat angles C4'-P-C4' energy: -123.607
flat angles P-C4'-P energy: -63.840
tors. eta vs tors. theta energy: -175.046
Dist. restrs. and SS energy: 6.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2799.207293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.207293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.382908 (E_RNA)
where:
Base-Base interactions energy: -1977.606
where: short stacking energy: -843.627
Base-Backbone interact. energy: -1.777
local terms energy: -830.000436
where:
bonds (distance) C4'-P energy: -139.242
bonds (distance) P-C4' energy: -136.517
flat angles C4'-P-C4' energy: -178.559
flat angles P-C4'-P energy: -114.509
tors. eta vs tors. theta energy: -261.173
Dist. restrs. and SS energy: 10.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2699.294310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.294310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.609494 (E_RNA)
where:
Base-Base interactions energy: -1921.536
where: short stacking energy: -781.491
Base-Backbone interact. energy: -0.465
local terms energy: -785.608218
where:
bonds (distance) C4'-P energy: -132.997
bonds (distance) P-C4' energy: -146.931
flat angles C4'-P-C4' energy: -164.401
flat angles P-C4'-P energy: -96.125
tors. eta vs tors. theta energy: -245.153
Dist. restrs. and SS energy: 8.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2623.943157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.943157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.806430 (E_RNA)
where:
Base-Base interactions energy: -1883.970
where: short stacking energy: -749.236
Base-Backbone interact. energy: -1.016
local terms energy: -745.819787
where:
bonds (distance) C4'-P energy: -139.131
bonds (distance) P-C4' energy: -127.496
flat angles C4'-P-C4' energy: -156.763
flat angles P-C4'-P energy: -96.123
tors. eta vs tors. theta energy: -226.307
Dist. restrs. and SS energy: 6.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2560.643186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.643186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.335813 (E_RNA)
where:
Base-Base interactions energy: -1819.888
where: short stacking energy: -728.538
Base-Backbone interact. energy: 0.113
local terms energy: -749.561029
where:
bonds (distance) C4'-P energy: -131.574
bonds (distance) P-C4' energy: -131.837
flat angles C4'-P-C4' energy: -155.442
flat angles P-C4'-P energy: -110.261
tors. eta vs tors. theta energy: -220.447
Dist. restrs. and SS energy: 8.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2482.169852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.169852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.818739 (E_RNA)
where:
Base-Base interactions energy: -1755.617
where: short stacking energy: -717.204
Base-Backbone interact. energy: -4.438
local terms energy: -732.764090
where:
bonds (distance) C4'-P energy: -119.034
bonds (distance) P-C4' energy: -140.641
flat angles C4'-P-C4' energy: -151.036
flat angles P-C4'-P energy: -93.551
tors. eta vs tors. theta energy: -228.502
Dist. restrs. and SS energy: 10.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2389.010245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.010245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.678495 (E_RNA)
where:
Base-Base interactions energy: -1742.225
where: short stacking energy: -687.614
Base-Backbone interact. energy: -1.988
local terms energy: -652.465561
where:
bonds (distance) C4'-P energy: -114.003
bonds (distance) P-C4' energy: -98.454
flat angles C4'-P-C4' energy: -136.467
flat angles P-C4'-P energy: -98.760
tors. eta vs tors. theta energy: -204.781
Dist. restrs. and SS energy: 7.668 (S_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: 355
Temperature: 1.200000
Total energy: -2359.592706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.592706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.533315 (E_RNA)
where:
Base-Base interactions energy: -1677.081
where: short stacking energy: -700.226
Base-Backbone interact. energy: -0.373
local terms energy: -699.079369
where:
bonds (distance) C4'-P energy: -113.855
bonds (distance) P-C4' energy: -109.377
flat angles C4'-P-C4' energy: -145.598
flat angles P-C4'-P energy: -114.262
tors. eta vs tors. theta energy: -215.988
Dist. restrs. and SS energy: 16.941 (S_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: 355
Temperature: 1.250000
Total energy: -2224.855143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.855143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.711922 (E_RNA)
where:
Base-Base interactions energy: -1582.629
where: short stacking energy: -642.586
Base-Backbone interact. energy: -2.305
local terms energy: -650.778114
where:
bonds (distance) C4'-P energy: -108.524
bonds (distance) P-C4' energy: -125.241
flat angles C4'-P-C4' energy: -137.001
flat angles P-C4'-P energy: -82.941
tors. eta vs tors. theta energy: -197.072
Dist. restrs. and SS energy: 10.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -2168.739639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.739639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.234991 (E_RNA)
where:
Base-Base interactions energy: -1551.971
where: short stacking energy: -632.400
Base-Backbone interact. energy: -3.684
local terms energy: -622.580079
where:
bonds (distance) C4'-P energy: -118.227
bonds (distance) P-C4' energy: -109.734
flat angles C4'-P-C4' energy: -130.953
flat angles P-C4'-P energy: -65.841
tors. eta vs tors. theta energy: -197.825
Dist. restrs. and SS energy: 9.495 (S_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: 355
Temperature: 1.350000
Total energy: -2044.299385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.299385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.306943 (E_RNA)
where:
Base-Base interactions energy: -1439.534
where: short stacking energy: -560.029
Base-Backbone interact. energy: -3.377
local terms energy: -608.395571
where:
bonds (distance) C4'-P energy: -105.272
bonds (distance) P-C4' energy: -112.577
flat angles C4'-P-C4' energy: -125.181
flat angles P-C4'-P energy: -89.038
tors. eta vs tors. theta energy: -176.327
Dist. restrs. and SS energy: 7.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2823.519466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.519466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.194858 (E_RNA)
where:
Base-Base interactions energy: -2001.882
where: short stacking energy: -821.574
Base-Backbone interact. energy: -1.793
local terms energy: -826.520547
where:
bonds (distance) C4'-P energy: -128.739
bonds (distance) P-C4' energy: -142.806
flat angles C4'-P-C4' energy: -170.714
flat angles P-C4'-P energy: -123.535
tors. eta vs tors. theta energy: -260.726
Dist. restrs. and SS energy: 6.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2717.414363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.414363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.946433 (E_RNA)
where:
Base-Base interactions energy: -1929.724
where: short stacking energy: -802.613
Base-Backbone interact. energy: -0.871
local terms energy: -795.350633
where:
bonds (distance) C4'-P energy: -124.556
bonds (distance) P-C4' energy: -150.232
flat angles C4'-P-C4' energy: -167.857
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -249.596
Dist. restrs. and SS energy: 8.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2630.575574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.575574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.661987 (E_RNA)
where:
Base-Base interactions energy: -1870.382
where: short stacking energy: -749.018
Base-Backbone interact. energy: -3.308
local terms energy: -763.971377
where:
bonds (distance) C4'-P energy: -125.748
bonds (distance) P-C4' energy: -138.273
flat angles C4'-P-C4' energy: -164.792
flat angles P-C4'-P energy: -106.943
tors. eta vs tors. theta energy: -228.215
Dist. restrs. and SS energy: 7.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2566.043156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.043156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.024495 (E_RNA)
where:
Base-Base interactions energy: -1808.760
where: short stacking energy: -733.669
Base-Backbone interact. energy: -0.803
local terms energy: -762.461610
where:
bonds (distance) C4'-P energy: -134.277
bonds (distance) P-C4' energy: -135.957
flat angles C4'-P-C4' energy: -150.179
flat angles P-C4'-P energy: -109.247
tors. eta vs tors. theta energy: -232.802
Dist. restrs. and SS energy: 5.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2498.226325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.226325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.673298 (E_RNA)
where:
Base-Base interactions energy: -1794.018
where: short stacking energy: -721.855
Base-Backbone interact. energy: -1.744
local terms energy: -716.911259
where:
bonds (distance) C4'-P energy: -128.594
bonds (distance) P-C4' energy: -114.439
flat angles C4'-P-C4' energy: -139.699
flat angles P-C4'-P energy: -100.311
tors. eta vs tors. theta energy: -233.867
Dist. restrs. and SS energy: 14.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2418.278175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.278175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.549803 (E_RNA)
where:
Base-Base interactions energy: -1733.329
where: short stacking energy: -697.865
Base-Backbone interact. energy: -1.315
local terms energy: -691.905423
where:
bonds (distance) C4'-P energy: -107.955
bonds (distance) P-C4' energy: -124.147
flat angles C4'-P-C4' energy: -140.262
flat angles P-C4'-P energy: -107.574
tors. eta vs tors. theta energy: -211.968
Dist. restrs. and SS energy: 8.272 (S_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: 356
Temperature: 1.200000
Total energy: -2347.746227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.746227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.676932 (E_RNA)
where:
Base-Base interactions energy: -1674.177
where: short stacking energy: -676.105
Base-Backbone interact. energy: -2.053
local terms energy: -686.446192
where:
bonds (distance) C4'-P energy: -116.367
bonds (distance) P-C4' energy: -115.281
flat angles C4'-P-C4' energy: -147.532
flat angles P-C4'-P energy: -95.650
tors. eta vs tors. theta energy: -211.616
Dist. restrs. and SS energy: 14.931 (S_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: 356
Temperature: 1.250000
Total energy: -2217.510250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.510250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.734989 (E_RNA)
where:
Base-Base interactions energy: -1606.175
where: short stacking energy: -662.955
Base-Backbone interact. energy: 0.384
local terms energy: -622.943879
where:
bonds (distance) C4'-P energy: -112.633
bonds (distance) P-C4' energy: -99.123
flat angles C4'-P-C4' energy: -118.729
flat angles P-C4'-P energy: -83.601
tors. eta vs tors. theta energy: -208.859
Dist. restrs. and SS energy: 11.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -2165.300100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.300100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.561874 (E_RNA)
where:
Base-Base interactions energy: -1555.921
where: short stacking energy: -627.580
Base-Backbone interact. energy: -5.223
local terms energy: -617.417990
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -118.135
flat angles C4'-P-C4' energy: -116.539
flat angles P-C4'-P energy: -89.990
tors. eta vs tors. theta energy: -177.980
Dist. restrs. and SS energy: 13.262 (S_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: 356
Temperature: 1.350000
Total energy: -2045.311652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.311652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.868465 (E_RNA)
where:
Base-Base interactions energy: -1423.178
where: short stacking energy: -557.407
Base-Backbone interact. energy: 0.219
local terms energy: -632.909699
where:
bonds (distance) C4'-P energy: -105.418
bonds (distance) P-C4' energy: -126.953
flat angles C4'-P-C4' energy: -138.745
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -180.286
Dist. restrs. and SS energy: 10.557 (S_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: -2822.764812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.764812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.999297 (E_RNA)
where:
Base-Base interactions energy: -1996.237
where: short stacking energy: -841.885
Base-Backbone interact. energy: -1.285
local terms energy: -832.476950
where:
bonds (distance) C4'-P energy: -150.046
bonds (distance) P-C4' energy: -135.005
flat angles C4'-P-C4' energy: -176.315
flat angles P-C4'-P energy: -114.596
tors. eta vs tors. theta energy: -256.515
Dist. restrs. and SS energy: 7.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2714.139093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.139093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.900826 (E_RNA)
where:
Base-Base interactions energy: -1921.107
where: short stacking energy: -776.138
Base-Backbone interact. energy: 0.216
local terms energy: -801.009393
where:
bonds (distance) C4'-P energy: -127.353
bonds (distance) P-C4' energy: -148.515
flat angles C4'-P-C4' energy: -161.140
flat angles P-C4'-P energy: -107.286
tors. eta vs tors. theta energy: -256.716
Dist. restrs. and SS energy: 7.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2662.082642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.082642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.742696 (E_RNA)
where:
Base-Base interactions energy: -1921.533
where: short stacking energy: -783.511
Base-Backbone interact. energy: -0.932
local terms energy: -747.277763
where:
bonds (distance) C4'-P energy: -103.783
bonds (distance) P-C4' energy: -132.470
flat angles C4'-P-C4' energy: -166.722
flat angles P-C4'-P energy: -106.527
tors. eta vs tors. theta energy: -237.775
Dist. restrs. and SS energy: 7.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2550.609878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.609878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.672128 (E_RNA)
where:
Base-Base interactions energy: -1808.154
where: short stacking energy: -750.756
Base-Backbone interact. energy: -4.223
local terms energy: -743.294940
where:
bonds (distance) C4'-P energy: -114.284
bonds (distance) P-C4' energy: -137.897
flat angles C4'-P-C4' energy: -153.308
flat angles P-C4'-P energy: -110.661
tors. eta vs tors. theta energy: -227.146
Dist. restrs. and SS energy: 5.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2494.628835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.498359 (E_RNA)
where:
Base-Base interactions energy: -1774.410
where: short stacking energy: -736.706
Base-Backbone interact. energy: -2.050
local terms energy: -727.038879
where:
bonds (distance) C4'-P energy: -113.916
bonds (distance) P-C4' energy: -106.652
flat angles C4'-P-C4' energy: -156.429
flat angles P-C4'-P energy: -110.740
tors. eta vs tors. theta energy: -239.302
Dist. restrs. and SS energy: 8.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2390.566390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.566390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.692630 (E_RNA)
where:
Base-Base interactions energy: -1720.473
where: short stacking energy: -692.583
Base-Backbone interact. energy: -1.074
local terms energy: -679.145395
where:
bonds (distance) C4'-P energy: -119.591
bonds (distance) P-C4' energy: -112.919
flat angles C4'-P-C4' energy: -143.944
flat angles P-C4'-P energy: -93.502
tors. eta vs tors. theta energy: -209.189
Dist. restrs. and SS energy: 10.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2307.891750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.891750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.369163 (E_RNA)
where:
Base-Base interactions energy: -1631.679
where: short stacking energy: -667.427
Base-Backbone interact. energy: -0.208
local terms energy: -687.482038
where:
bonds (distance) C4'-P energy: -114.625
bonds (distance) P-C4' energy: -100.342
flat angles C4'-P-C4' energy: -159.599
flat angles P-C4'-P energy: -103.949
tors. eta vs tors. theta energy: -208.966
Dist. restrs. and SS energy: 11.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2224.689072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.689072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.674944 (E_RNA)
where:
Base-Base interactions energy: -1618.170
where: short stacking energy: -645.820
Base-Backbone interact. energy: 0.585
local terms energy: -619.090092
where:
bonds (distance) C4'-P energy: -82.637
bonds (distance) P-C4' energy: -107.979
flat angles C4'-P-C4' energy: -144.226
flat angles P-C4'-P energy: -86.257
tors. eta vs tors. theta energy: -197.991
Dist. restrs. and SS energy: 11.986 (S_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: 357
Temperature: 1.300000
Total energy: -2163.559123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.559123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.813465 (E_RNA)
where:
Base-Base interactions energy: -1527.815
where: short stacking energy: -625.113
Base-Backbone interact. energy: 0.427
local terms energy: -648.425481
where:
bonds (distance) C4'-P energy: -122.226
bonds (distance) P-C4' energy: -101.450
flat angles C4'-P-C4' energy: -148.016
flat angles P-C4'-P energy: -83.593
tors. eta vs tors. theta energy: -193.140
Dist. restrs. and SS energy: 12.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -2113.236346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.236346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.620615 (E_RNA)
where:
Base-Base interactions energy: -1560.456
where: short stacking energy: -619.429
Base-Backbone interact. energy: 1.371
local terms energy: -561.534930
where:
bonds (distance) C4'-P energy: -96.861
bonds (distance) P-C4' energy: -95.993
flat angles C4'-P-C4' energy: -114.312
flat angles P-C4'-P energy: -72.098
tors. eta vs tors. theta energy: -182.271
Dist. restrs. and SS energy: 7.384 (S_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: -2820.961417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.961417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.215141 (E_RNA)
where:
Base-Base interactions energy: -2005.658
where: short stacking energy: -823.448
Base-Backbone interact. energy: -2.380
local terms energy: -819.177403
where:
bonds (distance) C4'-P energy: -140.218
bonds (distance) P-C4' energy: -142.083
flat angles C4'-P-C4' energy: -168.940
flat angles P-C4'-P energy: -113.657
tors. eta vs tors. theta energy: -254.280
Dist. restrs. and SS energy: 6.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2691.105484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.105484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.888417 (E_RNA)
where:
Base-Base interactions energy: -1888.420
where: short stacking energy: -792.205
Base-Backbone interact. energy: -4.019
local terms energy: -811.450302
where:
bonds (distance) C4'-P energy: -140.131
bonds (distance) P-C4' energy: -138.903
flat angles C4'-P-C4' energy: -168.274
flat angles P-C4'-P energy: -115.235
tors. eta vs tors. theta energy: -248.907
Dist. restrs. and SS energy: 12.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2648.685762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.685762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.179374 (E_RNA)
where:
Base-Base interactions energy: -1891.507
where: short stacking energy: -771.477
Base-Backbone interact. energy: 0.667
local terms energy: -765.340194
where:
bonds (distance) C4'-P energy: -119.804
bonds (distance) P-C4' energy: -136.284
flat angles C4'-P-C4' energy: -154.295
flat angles P-C4'-P energy: -111.949
tors. eta vs tors. theta energy: -243.008
Dist. restrs. and SS energy: 7.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2523.156854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.156854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.432121 (E_RNA)
where:
Base-Base interactions energy: -1808.104
where: short stacking energy: -724.931
Base-Backbone interact. energy: -2.058
local terms energy: -717.269694
where:
bonds (distance) C4'-P energy: -122.031
bonds (distance) P-C4' energy: -116.099
flat angles C4'-P-C4' energy: -154.000
flat angles P-C4'-P energy: -104.130
tors. eta vs tors. theta energy: -221.009
Dist. restrs. and SS energy: 4.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2514.208649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.208649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.699172 (E_RNA)
where:
Base-Base interactions energy: -1795.558
where: short stacking energy: -731.050
Base-Backbone interact. energy: -1.567
local terms energy: -724.574253
where:
bonds (distance) C4'-P energy: -138.844
bonds (distance) P-C4' energy: -125.999
flat angles C4'-P-C4' energy: -143.257
flat angles P-C4'-P energy: -99.058
tors. eta vs tors. theta energy: -217.416
Dist. restrs. and SS energy: 7.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2408.334445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.334445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.348173 (E_RNA)
where:
Base-Base interactions energy: -1729.311
where: short stacking energy: -719.039
Base-Backbone interact. energy: -2.220
local terms energy: -687.817000
where:
bonds (distance) C4'-P energy: -115.827
bonds (distance) P-C4' energy: -113.744
flat angles C4'-P-C4' energy: -145.339
flat angles P-C4'-P energy: -97.631
tors. eta vs tors. theta energy: -215.276
Dist. restrs. and SS energy: 11.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2348.358059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.358059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.202673 (E_RNA)
where:
Base-Base interactions energy: -1661.305
where: short stacking energy: -652.703
Base-Backbone interact. energy: 6.414
local terms energy: -711.311181
where:
bonds (distance) C4'-P energy: -118.316
bonds (distance) P-C4' energy: -139.695
flat angles C4'-P-C4' energy: -150.129
flat angles P-C4'-P energy: -93.212
tors. eta vs tors. theta energy: -209.959
Dist. restrs. and SS energy: 17.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2250.686443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.686443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.470966 (E_RNA)
where:
Base-Base interactions energy: -1615.759
where: short stacking energy: -655.944
Base-Backbone interact. energy: 1.476
local terms energy: -651.188106
where:
bonds (distance) C4'-P energy: -103.528
bonds (distance) P-C4' energy: -113.992
flat angles C4'-P-C4' energy: -135.109
flat angles P-C4'-P energy: -103.413
tors. eta vs tors. theta energy: -195.146
Dist. restrs. and SS energy: 14.785 (S_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: 358
Temperature: 1.300000
Total energy: -2123.873702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.873702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.521074 (E_RNA)
where:
Base-Base interactions energy: -1499.685
where: short stacking energy: -618.531
Base-Backbone interact. energy: 0.259
local terms energy: -642.095392
where:
bonds (distance) C4'-P energy: -108.235
bonds (distance) P-C4' energy: -129.363
flat angles C4'-P-C4' energy: -134.803
flat angles P-C4'-P energy: -70.797
tors. eta vs tors. theta energy: -198.897
Dist. restrs. and SS energy: 17.647 (S_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: 358
Temperature: 1.350000
Total energy: -2080.711798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.711798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.684705 (E_RNA)
where:
Base-Base interactions energy: -1500.277
where: short stacking energy: -586.586
Base-Backbone interact. energy: 0.512
local terms energy: -585.919460
where:
bonds (distance) C4'-P energy: -95.623
bonds (distance) P-C4' energy: -113.259
flat angles C4'-P-C4' energy: -120.202
flat angles P-C4'-P energy: -76.954
tors. eta vs tors. theta energy: -179.882
Dist. restrs. and SS energy: 4.973 (S_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: -2813.555654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.555654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.589625 (E_RNA)
where:
Base-Base interactions energy: -1978.281
where: short stacking energy: -813.294
Base-Backbone interact. energy: -4.157
local terms energy: -841.151544
where:
bonds (distance) C4'-P energy: -139.299
bonds (distance) P-C4' energy: -142.771
flat angles C4'-P-C4' energy: -169.194
flat angles P-C4'-P energy: -133.257
tors. eta vs tors. theta energy: -256.631
Dist. restrs. and SS energy: 10.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2691.322932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.322932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.567812 (E_RNA)
where:
Base-Base interactions energy: -1888.143
where: short stacking energy: -805.305
Base-Backbone interact. energy: -3.887
local terms energy: -806.537510
where:
bonds (distance) C4'-P energy: -139.915
bonds (distance) P-C4' energy: -129.360
flat angles C4'-P-C4' energy: -168.865
flat angles P-C4'-P energy: -114.150
tors. eta vs tors. theta energy: -254.248
Dist. restrs. and SS energy: 7.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2665.256789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.256789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.952838 (E_RNA)
where:
Base-Base interactions energy: -1891.424
where: short stacking energy: -764.488
Base-Backbone interact. energy: -0.515
local terms energy: -782.014065
where:
bonds (distance) C4'-P energy: -120.406
bonds (distance) P-C4' energy: -139.832
flat angles C4'-P-C4' energy: -165.980
flat angles P-C4'-P energy: -119.874
tors. eta vs tors. theta energy: -235.923
Dist. restrs. and SS energy: 8.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2511.507474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.507474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.314678 (E_RNA)
where:
Base-Base interactions energy: -1783.900
where: short stacking energy: -701.715
Base-Backbone interact. energy: -1.024
local terms energy: -733.391252
where:
bonds (distance) C4'-P energy: -121.729
bonds (distance) P-C4' energy: -136.827
flat angles C4'-P-C4' energy: -164.020
flat angles P-C4'-P energy: -100.155
tors. eta vs tors. theta energy: -210.660
Dist. restrs. and SS energy: 6.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2512.180261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.180261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.725787 (E_RNA)
where:
Base-Base interactions energy: -1797.749
where: short stacking energy: -730.991
Base-Backbone interact. energy: 0.741
local terms energy: -724.717482
where:
bonds (distance) C4'-P energy: -118.829
bonds (distance) P-C4' energy: -114.880
flat angles C4'-P-C4' energy: -154.495
flat angles P-C4'-P energy: -112.015
tors. eta vs tors. theta energy: -224.498
Dist. restrs. and SS energy: 9.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2452.359938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.359938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.560994 (E_RNA)
where:
Base-Base interactions energy: -1736.914
where: short stacking energy: -686.846
Base-Backbone interact. energy: -0.880
local terms energy: -730.766428
where:
bonds (distance) C4'-P energy: -119.081
bonds (distance) P-C4' energy: -146.245
flat angles C4'-P-C4' energy: -150.453
flat angles P-C4'-P energy: -98.106
tors. eta vs tors. theta energy: -216.880
Dist. restrs. and SS energy: 16.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2401.197357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.197357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.726986 (E_RNA)
where:
Base-Base interactions energy: -1715.707
where: short stacking energy: -700.391
Base-Backbone interact. energy: -1.145
local terms energy: -694.874618
where:
bonds (distance) C4'-P energy: -110.384
bonds (distance) P-C4' energy: -117.739
flat angles C4'-P-C4' energy: -153.041
flat angles P-C4'-P energy: -92.676
tors. eta vs tors. theta energy: -221.034
Dist. restrs. and SS energy: 10.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2232.144708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.144708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.363240 (E_RNA)
where:
Base-Base interactions energy: -1565.695
where: short stacking energy: -633.131
Base-Backbone interact. energy: -3.392
local terms energy: -672.275801
where:
bonds (distance) C4'-P energy: -108.186
bonds (distance) P-C4' energy: -126.010
flat angles C4'-P-C4' energy: -142.935
flat angles P-C4'-P energy: -100.935
tors. eta vs tors. theta energy: -194.210
Dist. restrs. and SS energy: 9.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -2192.315058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.315058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.876358 (E_RNA)
where:
Base-Base interactions energy: -1574.137
where: short stacking energy: -632.336
Base-Backbone interact. energy: 2.154
local terms energy: -630.893122
where:
bonds (distance) C4'-P energy: -104.758
bonds (distance) P-C4' energy: -95.590
flat angles C4'-P-C4' energy: -134.411
flat angles P-C4'-P energy: -96.467
tors. eta vs tors. theta energy: -199.667
Dist. restrs. and SS energy: 10.561 (S_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: 359
Temperature: 1.350000
Total energy: -2074.098719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.098719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.522284 (E_RNA)
where:
Base-Base interactions energy: -1500.191
where: short stacking energy: -584.682
Base-Backbone interact. energy: -4.131
local terms energy: -586.200862
where:
bonds (distance) C4'-P energy: -90.014
bonds (distance) P-C4' energy: -94.168
flat angles C4'-P-C4' energy: -131.256
flat angles P-C4'-P energy: -80.761
tors. eta vs tors. theta energy: -190.001
Dist. restrs. and SS energy: 16.424 (S_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: 360
Temperature: 0.900000
Total energy: -2839.414747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.414747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.553973 (E_RNA)
where:
Base-Base interactions energy: -2018.209
where: short stacking energy: -824.629
Base-Backbone interact. energy: -2.731
local terms energy: -825.613710
where:
bonds (distance) C4'-P energy: -126.646
bonds (distance) P-C4' energy: -143.044
flat angles C4'-P-C4' energy: -172.896
flat angles P-C4'-P energy: -122.843
tors. eta vs tors. theta energy: -260.185
Dist. restrs. and SS energy: 7.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2675.259474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.259474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.540648 (E_RNA)
where:
Base-Base interactions energy: -1897.123
where: short stacking energy: -786.075
Base-Backbone interact. energy: -2.655
local terms energy: -790.762681
where:
bonds (distance) C4'-P energy: -130.700
bonds (distance) P-C4' energy: -137.265
flat angles C4'-P-C4' energy: -160.410
flat angles P-C4'-P energy: -113.233
tors. eta vs tors. theta energy: -249.154
Dist. restrs. and SS energy: 15.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2643.816846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.816846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.533683 (E_RNA)
where:
Base-Base interactions energy: -1875.606
where: short stacking energy: -749.088
Base-Backbone interact. energy: -1.000
local terms energy: -775.928063
where:
bonds (distance) C4'-P energy: -129.315
bonds (distance) P-C4' energy: -146.432
flat angles C4'-P-C4' energy: -158.748
flat angles P-C4'-P energy: -106.519
tors. eta vs tors. theta energy: -234.914
Dist. restrs. and SS energy: 8.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2581.603450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.603450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.862157 (E_RNA)
where:
Base-Base interactions energy: -1836.309
where: short stacking energy: -730.261
Base-Backbone interact. energy: -3.950
local terms energy: -748.603106
where:
bonds (distance) C4'-P energy: -133.390
bonds (distance) P-C4' energy: -125.734
flat angles C4'-P-C4' energy: -153.167
flat angles P-C4'-P energy: -104.328
tors. eta vs tors. theta energy: -231.984
Dist. restrs. and SS energy: 7.259 (S_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: 360
Temperature: 1.100000
Total energy: -2492.624686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.624686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.353648 (E_RNA)
where:
Base-Base interactions energy: -1771.928
where: short stacking energy: -715.726
Base-Backbone interact. energy: -0.433
local terms energy: -730.991901
where:
bonds (distance) C4'-P energy: -119.756
bonds (distance) P-C4' energy: -116.543
flat angles C4'-P-C4' energy: -162.479
flat angles P-C4'-P energy: -99.800
tors. eta vs tors. theta energy: -232.413
Dist. restrs. and SS energy: 10.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2449.163566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.163566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.524646 (E_RNA)
where:
Base-Base interactions energy: -1766.667
where: short stacking energy: -715.598
Base-Backbone interact. energy: -1.267
local terms energy: -697.590523
where:
bonds (distance) C4'-P energy: -110.981
bonds (distance) P-C4' energy: -119.977
flat angles C4'-P-C4' energy: -152.747
flat angles P-C4'-P energy: -88.976
tors. eta vs tors. theta energy: -224.909
Dist. restrs. and SS energy: 16.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2360.076765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.076765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.393763 (E_RNA)
where:
Base-Base interactions energy: -1667.627
where: short stacking energy: -696.243
Base-Backbone interact. energy: -0.207
local terms energy: -704.560031
where:
bonds (distance) C4'-P energy: -118.206
bonds (distance) P-C4' energy: -113.688
flat angles C4'-P-C4' energy: -153.851
flat angles P-C4'-P energy: -93.218
tors. eta vs tors. theta energy: -225.597
Dist. restrs. and SS energy: 12.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -2247.641874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.641874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.968383 (E_RNA)
where:
Base-Base interactions energy: -1582.387
where: short stacking energy: -620.720
Base-Backbone interact. energy: -3.754
local terms energy: -668.827585
where:
bonds (distance) C4'-P energy: -116.594
bonds (distance) P-C4' energy: -112.586
flat angles C4'-P-C4' energy: -150.158
flat angles P-C4'-P energy: -92.786
tors. eta vs tors. theta energy: -196.704
Dist. restrs. and SS energy: 7.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -2204.748343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.748343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.350969 (E_RNA)
where:
Base-Base interactions energy: -1570.769
where: short stacking energy: -646.560
Base-Backbone interact. energy: 1.523
local terms energy: -645.104922
where:
bonds (distance) C4'-P energy: -123.448
bonds (distance) P-C4' energy: -116.407
flat angles C4'-P-C4' energy: -125.041
flat angles P-C4'-P energy: -73.884
tors. eta vs tors. theta energy: -206.326
Dist. restrs. and SS energy: 9.603 (S_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: 360
Temperature: 1.350000
Total energy: -2004.275046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.275046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.145576 (E_RNA)
where:
Base-Base interactions energy: -1443.744
where: short stacking energy: -568.797
Base-Backbone interact. energy: -0.462
local terms energy: -575.940043
where:
bonds (distance) C4'-P energy: -96.670
bonds (distance) P-C4' energy: -89.157
flat angles C4'-P-C4' energy: -144.168
flat angles P-C4'-P energy: -66.059
tors. eta vs tors. theta energy: -179.886
Dist. restrs. and SS energy: 15.871 (S_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: 361
Temperature: 0.900000
Total energy: -2793.568663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.568663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.169088 (E_RNA)
where:
Base-Base interactions energy: -1980.652
where: short stacking energy: -823.190
Base-Backbone interact. energy: -2.673
local terms energy: -816.843939
where:
bonds (distance) C4'-P energy: -148.369
bonds (distance) P-C4' energy: -124.518
flat angles C4'-P-C4' energy: -169.555
flat angles P-C4'-P energy: -123.810
tors. eta vs tors. theta energy: -250.593
Dist. restrs. and SS energy: 6.600 (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: 361
Temperature: 0.950000
Total energy: -2694.813889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.813889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.063338 (E_RNA)
where:
Base-Base interactions energy: -1892.842
where: short stacking energy: -791.252
Base-Backbone interact. energy: -0.303
local terms energy: -814.918403
where:
bonds (distance) C4'-P energy: -141.719
bonds (distance) P-C4' energy: -143.341
flat angles C4'-P-C4' energy: -169.494
flat angles P-C4'-P energy: -113.552
tors. eta vs tors. theta energy: -246.812
Dist. restrs. and SS energy: 13.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2639.428093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.428093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.314660 (E_RNA)
where:
Base-Base interactions energy: -1887.778
where: short stacking energy: -783.307
Base-Backbone interact. energy: 0.211
local terms energy: -759.747526
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -147.733
flat angles C4'-P-C4' energy: -156.208
flat angles P-C4'-P energy: -106.511
tors. eta vs tors. theta energy: -237.258
Dist. restrs. and SS energy: 7.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2560.518650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.518650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.032965 (E_RNA)
where:
Base-Base interactions energy: -1787.419
where: short stacking energy: -741.641
Base-Backbone interact. energy: -2.377
local terms energy: -783.237638
where:
bonds (distance) C4'-P energy: -127.782
bonds (distance) P-C4' energy: -132.299
flat angles C4'-P-C4' energy: -157.561
flat angles P-C4'-P energy: -124.145
tors. eta vs tors. theta energy: -241.450
Dist. restrs. and SS energy: 12.514 (S_DIST_RNA)
chem. 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: -2505.829344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.829344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.547734 (E_RNA)
where:
Base-Base interactions energy: -1808.707
where: short stacking energy: -713.464
Base-Backbone interact. energy: 0.228
local terms energy: -704.068029
where:
bonds (distance) C4'-P energy: -122.290
bonds (distance) P-C4' energy: -113.507
flat angles C4'-P-C4' energy: -154.765
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -220.046
Dist. restrs. and SS energy: 6.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2421.639004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.639004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.170159 (E_RNA)
where:
Base-Base interactions energy: -1727.892
where: short stacking energy: -696.408
Base-Backbone interact. energy: -2.118
local terms energy: -705.160378
where:
bonds (distance) C4'-P energy: -125.050
bonds (distance) P-C4' energy: -122.239
flat angles C4'-P-C4' energy: -151.609
flat angles P-C4'-P energy: -90.284
tors. eta vs tors. theta energy: -215.979
Dist. restrs. and SS energy: 13.531 (S_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: 361
Temperature: 1.200000
Total energy: -2287.947442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.947442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.965133 (E_RNA)
where:
Base-Base interactions energy: -1644.758
where: short stacking energy: -660.001
Base-Backbone interact. energy: -5.365
local terms energy: -650.842121
where:
bonds (distance) C4'-P energy: -110.811
bonds (distance) P-C4' energy: -107.214
flat angles C4'-P-C4' energy: -128.554
flat angles P-C4'-P energy: -97.859
tors. eta vs tors. theta energy: -206.405
Dist. restrs. and SS energy: 13.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2242.597319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.597319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.963471 (E_RNA)
where:
Base-Base interactions energy: -1550.173
where: short stacking energy: -615.352
Base-Backbone interact. energy: 0.824
local terms energy: -702.614814
where:
bonds (distance) C4'-P energy: -120.770
bonds (distance) P-C4' energy: -127.125
flat angles C4'-P-C4' energy: -154.253
flat angles P-C4'-P energy: -97.553
tors. eta vs tors. theta energy: -202.914
Dist. restrs. and SS energy: 9.366 (S_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: 361
Temperature: 1.300000
Total energy: -2180.790950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.790950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.458230 (E_RNA)
where:
Base-Base interactions energy: -1551.408
where: short stacking energy: -624.499
Base-Backbone interact. energy: 1.724
local terms energy: -640.774355
where:
bonds (distance) C4'-P energy: -117.600
bonds (distance) P-C4' energy: -100.135
flat angles C4'-P-C4' energy: -132.314
flat angles P-C4'-P energy: -88.775
tors. eta vs tors. theta energy: -201.951
Dist. restrs. and SS energy: 9.667 (S_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: 361
Temperature: 1.350000
Total energy: -2081.849819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.849819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.807499 (E_RNA)
where:
Base-Base interactions energy: -1457.966
where: short stacking energy: -581.661
Base-Backbone interact. energy: -1.173
local terms energy: -634.668324
where:
bonds (distance) C4'-P energy: -109.640
bonds (distance) P-C4' energy: -102.007
flat angles C4'-P-C4' energy: -132.147
flat angles P-C4'-P energy: -107.513
tors. eta vs tors. theta energy: -183.361
Dist. restrs. and SS energy: 11.958 (S_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: 362
Temperature: 0.900000
Total energy: -2819.655514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.655514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.788932 (E_RNA)
where:
Base-Base interactions energy: -1992.245
where: short stacking energy: -817.634
Base-Backbone interact. energy: 0.286
local terms energy: -835.829066
where:
bonds (distance) C4'-P energy: -142.037
bonds (distance) P-C4' energy: -146.034
flat angles C4'-P-C4' energy: -174.436
flat angles P-C4'-P energy: -116.740
tors. eta vs tors. theta energy: -256.582
Dist. restrs. and SS energy: 8.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2718.881799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.881799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.285224 (E_RNA)
where:
Base-Base interactions energy: -1941.825
where: short stacking energy: -813.064
Base-Backbone interact. energy: -2.267
local terms energy: -789.192980
where:
bonds (distance) C4'-P energy: -118.743
bonds (distance) P-C4' energy: -143.983
flat angles C4'-P-C4' energy: -164.473
flat angles P-C4'-P energy: -120.522
tors. eta vs tors. theta energy: -241.472
Dist. restrs. and SS energy: 14.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2669.672099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.672099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.057495 (E_RNA)
where:
Base-Base interactions energy: -1902.428
where: short stacking energy: -780.921
Base-Backbone interact. energy: 0.897
local terms energy: -777.526538
where:
bonds (distance) C4'-P energy: -142.912
bonds (distance) P-C4' energy: -121.915
flat angles C4'-P-C4' energy: -161.063
flat angles P-C4'-P energy: -111.030
tors. eta vs tors. theta energy: -240.607
Dist. restrs. and SS energy: 9.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2556.225233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.225233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.905664 (E_RNA)
where:
Base-Base interactions energy: -1815.006
where: short stacking energy: -737.275
Base-Backbone interact. energy: -4.430
local terms energy: -748.468902
where:
bonds (distance) C4'-P energy: -132.809
bonds (distance) P-C4' energy: -145.027
flat angles C4'-P-C4' energy: -144.403
flat angles P-C4'-P energy: -96.916
tors. eta vs tors. theta energy: -229.314
Dist. restrs. and SS energy: 11.680 (S_DIST_RNA)
chem. 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: -2491.597894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.597894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.892145 (E_RNA)
where:
Base-Base interactions energy: -1776.051
where: short stacking energy: -706.052
Base-Backbone interact. energy: -0.352
local terms energy: -721.488867
where:
bonds (distance) C4'-P energy: -115.676
bonds (distance) P-C4' energy: -136.247
flat angles C4'-P-C4' energy: -150.165
flat angles P-C4'-P energy: -96.440
tors. eta vs tors. theta energy: -222.961
Dist. restrs. and SS energy: 6.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2447.953770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.953770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.928527 (E_RNA)
where:
Base-Base interactions energy: -1778.920
where: short stacking energy: -729.447
Base-Backbone interact. energy: 3.399
local terms energy: -683.408254
where:
bonds (distance) C4'-P energy: -118.881
bonds (distance) P-C4' energy: -110.710
flat angles C4'-P-C4' energy: -141.756
flat angles P-C4'-P energy: -99.060
tors. eta vs tors. theta energy: -213.001
Dist. restrs. and SS energy: 10.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2276.226950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.226950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.091634 (E_RNA)
where:
Base-Base interactions energy: -1615.194
where: short stacking energy: -638.643
Base-Backbone interact. energy: -2.808
local terms energy: -668.088880
where:
bonds (distance) C4'-P energy: -123.042
bonds (distance) P-C4' energy: -124.015
flat angles C4'-P-C4' energy: -137.035
flat angles P-C4'-P energy: -89.719
tors. eta vs tors. theta energy: -194.277
Dist. restrs. and SS energy: 9.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2273.987196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.987196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.778662 (E_RNA)
where:
Base-Base interactions energy: -1635.959
where: short stacking energy: -630.945
Base-Backbone interact. energy: 1.228
local terms energy: -650.047612
where:
bonds (distance) C4'-P energy: -107.018
bonds (distance) P-C4' energy: -119.718
flat angles C4'-P-C4' energy: -131.509
flat angles P-C4'-P energy: -93.541
tors. eta vs tors. theta energy: -198.263
Dist. restrs. and SS energy: 10.791 (S_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: 362
Temperature: 1.300000
Total energy: -2179.428356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.428356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.349321 (E_RNA)
where:
Base-Base interactions energy: -1544.492
where: short stacking energy: -595.019
Base-Backbone interact. energy: 0.032
local terms energy: -643.889967
where:
bonds (distance) C4'-P energy: -116.701
bonds (distance) P-C4' energy: -122.774
flat angles C4'-P-C4' energy: -129.548
flat angles P-C4'-P energy: -92.769
tors. eta vs tors. theta energy: -182.098
Dist. restrs. and SS energy: 8.921 (S_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: 362
Temperature: 1.350000
Total energy: -2042.885060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.885060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.221703 (E_RNA)
where:
Base-Base interactions energy: -1451.919
where: short stacking energy: -592.493
Base-Backbone interact. energy: -0.710
local terms energy: -606.592891
where:
bonds (distance) C4'-P energy: -99.512
bonds (distance) P-C4' energy: -127.854
flat angles C4'-P-C4' energy: -125.249
flat angles P-C4'-P energy: -79.858
tors. eta vs tors. theta energy: -174.121
Dist. restrs. and SS energy: 16.337 (S_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: 363
Temperature: 0.900000
Total energy: -2820.803497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.803497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.616582 (E_RNA)
where:
Base-Base interactions energy: -2004.487
where: short stacking energy: -806.609
Base-Backbone interact. energy: -2.486
local terms energy: -820.643272
where:
bonds (distance) C4'-P energy: -131.295
bonds (distance) P-C4' energy: -141.896
flat angles C4'-P-C4' energy: -167.352
flat angles P-C4'-P energy: -117.980
tors. eta vs tors. theta energy: -262.120
Dist. restrs. and SS energy: 6.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2693.093134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.093134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.089890 (E_RNA)
where:
Base-Base interactions energy: -1887.636
where: short stacking energy: -766.682
Base-Backbone interact. energy: -2.595
local terms energy: -810.859843
where:
bonds (distance) C4'-P energy: -152.042
bonds (distance) P-C4' energy: -144.246
flat angles C4'-P-C4' energy: -158.198
flat angles P-C4'-P energy: -113.387
tors. eta vs tors. theta energy: -242.987
Dist. restrs. and SS energy: 7.997 (S_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: 363
Temperature: 1.000000
Total energy: -2670.343000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.343000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.168353 (E_RNA)
where:
Base-Base interactions energy: -1868.576
where: short stacking energy: -782.530
Base-Backbone interact. energy: 2.217
local terms energy: -816.809107
where:
bonds (distance) C4'-P energy: -133.458
bonds (distance) P-C4' energy: -140.003
flat angles C4'-P-C4' energy: -164.244
flat angles P-C4'-P energy: -126.096
tors. eta vs tors. theta energy: -253.008
Dist. restrs. and SS energy: 12.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2562.132201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.132201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.503324 (E_RNA)
where:
Base-Base interactions energy: -1830.607
where: short stacking energy: -765.364
Base-Backbone interact. energy: 2.630
local terms energy: -743.526432
where:
bonds (distance) C4'-P energy: -118.562
bonds (distance) P-C4' energy: -134.476
flat angles C4'-P-C4' energy: -147.803
flat angles P-C4'-P energy: -101.117
tors. eta vs tors. theta energy: -241.568
Dist. restrs. and SS energy: 9.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2494.882873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.882873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.019225 (E_RNA)
where:
Base-Base interactions energy: -1765.661
where: short stacking energy: -748.458
Base-Backbone interact. energy: -1.456
local terms energy: -734.902348
where:
bonds (distance) C4'-P energy: -129.624
bonds (distance) P-C4' energy: -127.412
flat angles C4'-P-C4' energy: -150.865
flat angles P-C4'-P energy: -100.214
tors. eta vs tors. theta energy: -226.787
Dist. restrs. and SS energy: 7.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2421.242296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.242296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.104360 (E_RNA)
where:
Base-Base interactions energy: -1722.547
where: short stacking energy: -697.946
Base-Backbone interact. energy: -0.653
local terms energy: -709.904550
where:
bonds (distance) C4'-P energy: -140.429
bonds (distance) P-C4' energy: -125.409
flat angles C4'-P-C4' energy: -140.815
flat angles P-C4'-P energy: -94.278
tors. eta vs tors. theta energy: -208.973
Dist. restrs. and SS energy: 11.862 (S_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: 363
Temperature: 1.200000
Total energy: -2255.292172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.292172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.005899 (E_RNA)
where:
Base-Base interactions energy: -1620.978
where: short stacking energy: -655.256
Base-Backbone interact. energy: 0.359
local terms energy: -644.386740
where:
bonds (distance) C4'-P energy: -119.554
bonds (distance) P-C4' energy: -105.090
flat angles C4'-P-C4' energy: -130.340
flat angles P-C4'-P energy: -93.447
tors. eta vs tors. theta energy: -195.956
Dist. restrs. and SS energy: 9.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -2263.139901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.139901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.066382 (E_RNA)
where:
Base-Base interactions energy: -1607.950
where: short stacking energy: -644.714
Base-Backbone interact. energy: -0.416
local terms energy: -663.700133
where:
bonds (distance) C4'-P energy: -106.332
bonds (distance) P-C4' energy: -107.190
flat angles C4'-P-C4' energy: -138.071
flat angles P-C4'-P energy: -94.593
tors. eta vs tors. theta energy: -217.515
Dist. restrs. and SS energy: 8.926 (S_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: 363
Temperature: 1.300000
Total energy: -2167.096044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.096044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.297946 (E_RNA)
where:
Base-Base interactions energy: -1571.050
where: short stacking energy: -633.633
Base-Backbone interact. energy: -3.197
local terms energy: -603.051004
where:
bonds (distance) C4'-P energy: -98.907
bonds (distance) P-C4' energy: -118.651
flat angles C4'-P-C4' energy: -119.056
flat angles P-C4'-P energy: -70.170
tors. eta vs tors. theta energy: -196.266
Dist. restrs. and SS energy: 10.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -2088.568045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.568045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.629322 (E_RNA)
where:
Base-Base interactions energy: -1514.149
where: short stacking energy: -608.701
Base-Backbone interact. energy: -1.476
local terms energy: -588.004287
where:
bonds (distance) C4'-P energy: -105.748
bonds (distance) P-C4' energy: -87.397
flat angles C4'-P-C4' energy: -126.396
flat angles P-C4'-P energy: -83.312
tors. eta vs tors. theta energy: -185.151
Dist. restrs. and SS energy: 15.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2812.994998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.994998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.232903 (E_RNA)
where:
Base-Base interactions energy: -2010.211
where: short stacking energy: -822.425
Base-Backbone interact. energy: 1.528
local terms energy: -811.550235
where:
bonds (distance) C4'-P energy: -117.612
bonds (distance) P-C4' energy: -141.361
flat angles C4'-P-C4' energy: -165.596
flat angles P-C4'-P energy: -131.019
tors. eta vs tors. theta energy: -255.962
Dist. restrs. and SS energy: 7.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2684.965829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.965829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.525045 (E_RNA)
where:
Base-Base interactions energy: -1909.018
where: short stacking energy: -779.076
Base-Backbone interact. energy: 0.104
local terms energy: -783.611041
where:
bonds (distance) C4'-P energy: -130.277
bonds (distance) P-C4' energy: -134.012
flat angles C4'-P-C4' energy: -158.677
flat angles P-C4'-P energy: -119.492
tors. eta vs tors. theta energy: -241.153
Dist. restrs. and SS energy: 7.559 (S_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: 364
Temperature: 1.000000
Total energy: -2631.350804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.350804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.623708 (E_RNA)
where:
Base-Base interactions energy: -1884.363
where: short stacking energy: -769.210
Base-Backbone interact. energy: -2.326
local terms energy: -759.935236
where:
bonds (distance) C4'-P energy: -136.710
bonds (distance) P-C4' energy: -124.837
flat angles C4'-P-C4' energy: -164.346
flat angles P-C4'-P energy: -101.614
tors. eta vs tors. theta energy: -232.428
Dist. restrs. and SS energy: 15.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2543.939052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.939052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.994941 (E_RNA)
where:
Base-Base interactions energy: -1834.883
where: short stacking energy: -750.216
Base-Backbone interact. energy: 1.925
local terms energy: -721.036297
where:
bonds (distance) C4'-P energy: -106.023
bonds (distance) P-C4' energy: -116.285
flat angles C4'-P-C4' energy: -154.804
flat angles P-C4'-P energy: -107.911
tors. eta vs tors. theta energy: -236.013
Dist. restrs. and SS energy: 10.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2504.357209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.357209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.265793 (E_RNA)
where:
Base-Base interactions energy: -1786.033
where: short stacking energy: -739.458
Base-Backbone interact. energy: 0.019
local terms energy: -727.251479
where:
bonds (distance) C4'-P energy: -118.324
bonds (distance) P-C4' energy: -113.586
flat angles C4'-P-C4' energy: -155.429
flat angles P-C4'-P energy: -113.419
tors. eta vs tors. theta energy: -226.493
Dist. restrs. and SS energy: 8.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2425.908889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.908889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.666852 (E_RNA)
where:
Base-Base interactions energy: -1746.391
where: short stacking energy: -728.454
Base-Backbone interact. energy: 1.496
local terms energy: -687.772416
where:
bonds (distance) C4'-P energy: -98.466
bonds (distance) P-C4' energy: -109.793
flat angles C4'-P-C4' energy: -154.071
flat angles P-C4'-P energy: -99.443
tors. eta vs tors. theta energy: -226.000
Dist. restrs. and SS energy: 6.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2331.102082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.102082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.160806 (E_RNA)
where:
Base-Base interactions energy: -1647.323
where: short stacking energy: -652.316
Base-Backbone interact. energy: -0.838
local terms energy: -692.000030
where:
bonds (distance) C4'-P energy: -115.112
bonds (distance) P-C4' energy: -125.873
flat angles C4'-P-C4' energy: -136.154
flat angles P-C4'-P energy: -105.592
tors. eta vs tors. theta energy: -209.270
Dist. restrs. and SS energy: 9.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2224.552192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.552192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.292639 (E_RNA)
where:
Base-Base interactions energy: -1598.738
where: short stacking energy: -655.193
Base-Backbone interact. energy: 0.610
local terms energy: -637.164635
where:
bonds (distance) C4'-P energy: -114.343
bonds (distance) P-C4' energy: -108.842
flat angles C4'-P-C4' energy: -134.796
flat angles P-C4'-P energy: -79.257
tors. eta vs tors. theta energy: -199.927
Dist. restrs. and SS energy: 10.740 (S_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: 364
Temperature: 1.300000
Total energy: -2183.411959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.411959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.957564 (E_RNA)
where:
Base-Base interactions energy: -1538.776
where: short stacking energy: -596.192
Base-Backbone interact. energy: -3.369
local terms energy: -649.812416
where:
bonds (distance) C4'-P energy: -119.539
bonds (distance) P-C4' energy: -119.908
flat angles C4'-P-C4' energy: -135.266
flat angles P-C4'-P energy: -81.680
tors. eta vs tors. theta energy: -193.420
Dist. restrs. and SS energy: 8.546 (S_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: -2042.289491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.289491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.102677 (E_RNA)
where:
Base-Base interactions energy: -1446.351
where: short stacking energy: -581.181
Base-Backbone interact. energy: -1.563
local terms energy: -611.188344
where:
bonds (distance) C4'-P energy: -103.044
bonds (distance) P-C4' energy: -110.239
flat angles C4'-P-C4' energy: -136.256
flat angles P-C4'-P energy: -91.674
tors. eta vs tors. theta energy: -169.975
Dist. restrs. and SS energy: 16.813 (S_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: 365
Temperature: 0.900000
Total energy: -2812.963589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.963589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.482643 (E_RNA)
where:
Base-Base interactions energy: -1994.452
where: short stacking energy: -835.851
Base-Backbone interact. energy: 1.375
local terms energy: -828.404970
where:
bonds (distance) C4'-P energy: -149.886
bonds (distance) P-C4' energy: -142.875
flat angles C4'-P-C4' energy: -164.266
flat angles P-C4'-P energy: -114.048
tors. eta vs tors. theta energy: -257.330
Dist. restrs. and SS energy: 8.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2686.945563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.945563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.211259 (E_RNA)
where:
Base-Base interactions energy: -1913.240
where: short stacking energy: -788.588
Base-Backbone interact. energy: -3.657
local terms energy: -782.313748
where:
bonds (distance) C4'-P energy: -126.718
bonds (distance) P-C4' energy: -119.709
flat angles C4'-P-C4' energy: -165.673
flat angles P-C4'-P energy: -123.062
tors. eta vs tors. theta energy: -247.152
Dist. restrs. and SS energy: 12.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2643.133512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.133512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.018034 (E_RNA)
where:
Base-Base interactions energy: -1860.742
where: short stacking energy: -768.081
Base-Backbone interact. energy: 0.388
local terms energy: -789.664046
where:
bonds (distance) C4'-P energy: -134.748
bonds (distance) P-C4' energy: -137.717
flat angles C4'-P-C4' energy: -156.993
flat angles P-C4'-P energy: -118.663
tors. eta vs tors. theta energy: -241.542
Dist. restrs. and SS energy: 6.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2566.374393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.374393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.744012 (E_RNA)
where:
Base-Base interactions energy: -1821.686
where: short stacking energy: -737.155
Base-Backbone interact. energy: -3.959
local terms energy: -749.098382
where:
bonds (distance) C4'-P energy: -135.626
bonds (distance) P-C4' energy: -138.465
flat angles C4'-P-C4' energy: -158.798
flat angles P-C4'-P energy: -92.117
tors. eta vs tors. theta energy: -224.094
Dist. restrs. and SS energy: 8.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2503.636139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.636139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.626059 (E_RNA)
where:
Base-Base interactions energy: -1782.529
where: short stacking energy: -724.375
Base-Backbone interact. energy: -2.635
local terms energy: -735.461376
where:
bonds (distance) C4'-P energy: -117.274
bonds (distance) P-C4' energy: -131.223
flat angles C4'-P-C4' energy: -164.023
flat angles P-C4'-P energy: -101.877
tors. eta vs tors. theta energy: -221.065
Dist. restrs. and SS energy: 16.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2425.228046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.228046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.815021 (E_RNA)
where:
Base-Base interactions energy: -1746.330
where: short stacking energy: -694.507
Base-Backbone interact. energy: -1.064
local terms energy: -687.421611
where:
bonds (distance) C4'-P energy: -111.190
bonds (distance) P-C4' energy: -118.604
flat angles C4'-P-C4' energy: -153.523
flat angles P-C4'-P energy: -85.425
tors. eta vs tors. theta energy: -218.679
Dist. restrs. and SS energy: 9.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2321.026273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.026273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.401002 (E_RNA)
where:
Base-Base interactions energy: -1644.872
where: short stacking energy: -663.216
Base-Backbone interact. energy: -2.539
local terms energy: -680.989485
where:
bonds (distance) C4'-P energy: -118.149
bonds (distance) P-C4' energy: -110.463
flat angles C4'-P-C4' energy: -141.416
flat angles P-C4'-P energy: -94.500
tors. eta vs tors. theta energy: -216.462
Dist. restrs. and SS energy: 7.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -2218.589978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.589978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.906620 (E_RNA)
where:
Base-Base interactions energy: -1579.170
where: short stacking energy: -622.811
Base-Backbone interact. energy: -2.007
local terms energy: -648.729655
where:
bonds (distance) C4'-P energy: -107.775
bonds (distance) P-C4' energy: -117.345
flat angles C4'-P-C4' energy: -146.217
flat angles P-C4'-P energy: -89.395
tors. eta vs tors. theta energy: -187.997
Dist. restrs. and SS energy: 11.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -2173.537208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.537208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.058704 (E_RNA)
where:
Base-Base interactions energy: -1571.476
where: short stacking energy: -622.362
Base-Backbone interact. energy: -0.785
local terms energy: -609.797834
where:
bonds (distance) C4'-P energy: -116.779
bonds (distance) P-C4' energy: -92.862
flat angles C4'-P-C4' energy: -123.433
flat angles P-C4'-P energy: -86.590
tors. eta vs tors. theta energy: -190.135
Dist. restrs. and SS energy: 8.521 (S_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: -2082.071803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.071803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.650538 (E_RNA)
where:
Base-Base interactions energy: -1505.768
where: short stacking energy: -582.982
Base-Backbone interact. energy: -1.006
local terms energy: -590.876636
where:
bonds (distance) C4'-P energy: -102.533
bonds (distance) P-C4' energy: -92.095
flat angles C4'-P-C4' energy: -131.875
flat angles P-C4'-P energy: -93.991
tors. eta vs tors. theta energy: -170.383
Dist. restrs. and SS energy: 15.579 (S_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: 366
Temperature: 0.900000
Total energy: -2825.182880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.182880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.727178 (E_RNA)
where:
Base-Base interactions energy: -1998.564
where: short stacking energy: -817.162
Base-Backbone interact. energy: -2.895
local terms energy: -832.268227
where:
bonds (distance) C4'-P energy: -148.555
bonds (distance) P-C4' energy: -143.645
flat angles C4'-P-C4' energy: -169.601
flat angles P-C4'-P energy: -112.928
tors. eta vs tors. theta energy: -257.539
Dist. restrs. and SS energy: 8.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2682.976896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.976896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.239327 (E_RNA)
where:
Base-Base interactions energy: -1914.352
where: short stacking energy: -798.456
Base-Backbone interact. energy: -4.037
local terms energy: -778.849767
where:
bonds (distance) C4'-P energy: -127.811
bonds (distance) P-C4' energy: -136.528
flat angles C4'-P-C4' energy: -153.192
flat angles P-C4'-P energy: -115.337
tors. eta vs tors. theta energy: -245.982
Dist. restrs. and SS energy: 14.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2668.362062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.362062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.937084 (E_RNA)
where:
Base-Base interactions energy: -1882.591
where: short stacking energy: -794.502
Base-Backbone interact. energy: 2.841
local terms energy: -797.187992
where:
bonds (distance) C4'-P energy: -134.596
bonds (distance) P-C4' energy: -141.261
flat angles C4'-P-C4' energy: -157.773
flat angles P-C4'-P energy: -115.233
tors. eta vs tors. theta energy: -248.324
Dist. restrs. and SS energy: 8.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2529.897266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.897266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.605071 (E_RNA)
where:
Base-Base interactions energy: -1787.353
where: short stacking energy: -754.817
Base-Backbone interact. energy: -3.210
local terms energy: -750.041189
where:
bonds (distance) C4'-P energy: -134.511
bonds (distance) P-C4' energy: -120.487
flat angles C4'-P-C4' energy: -153.009
flat angles P-C4'-P energy: -109.200
tors. eta vs tors. theta energy: -232.835
Dist. restrs. and SS energy: 10.708 (S_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: 366
Temperature: 1.100000
Total energy: -2455.572795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.572795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.869958 (E_RNA)
where:
Base-Base interactions energy: -1743.248
where: short stacking energy: -710.807
Base-Backbone interact. energy: -0.147
local terms energy: -724.475278
where:
bonds (distance) C4'-P energy: -128.639
bonds (distance) P-C4' energy: -116.845
flat angles C4'-P-C4' energy: -150.906
flat angles P-C4'-P energy: -107.449
tors. eta vs tors. theta energy: -220.637
Dist. restrs. and SS energy: 12.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2457.677686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.677686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.147801 (E_RNA)
where:
Base-Base interactions energy: -1724.241
where: short stacking energy: -701.140
Base-Backbone interact. energy: 0.394
local terms energy: -741.300177
where:
bonds (distance) C4'-P energy: -120.701
bonds (distance) P-C4' energy: -133.755
flat angles C4'-P-C4' energy: -155.181
flat angles P-C4'-P energy: -108.055
tors. eta vs tors. theta energy: -223.608
Dist. restrs. and SS energy: 7.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2288.545392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.545392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.986040 (E_RNA)
where:
Base-Base interactions energy: -1629.149
where: short stacking energy: -653.809
Base-Backbone interact. energy: -2.342
local terms energy: -668.495569
where:
bonds (distance) C4'-P energy: -121.720
bonds (distance) P-C4' energy: -113.093
flat angles C4'-P-C4' energy: -139.497
flat angles P-C4'-P energy: -89.124
tors. eta vs tors. theta energy: -205.062
Dist. restrs. and SS energy: 11.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -2282.785861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.785861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.082845 (E_RNA)
where:
Base-Base interactions energy: -1641.347
where: short stacking energy: -667.537
Base-Backbone interact. energy: 2.394
local terms energy: -654.129378
where:
bonds (distance) C4'-P energy: -112.047
bonds (distance) P-C4' energy: -115.737
flat angles C4'-P-C4' energy: -139.989
flat angles P-C4'-P energy: -87.107
tors. eta vs tors. theta energy: -199.250
Dist. restrs. and SS energy: 10.297 (S_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: 366
Temperature: 1.300000
Total energy: -2132.355603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.355603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.804038 (E_RNA)
where:
Base-Base interactions energy: -1513.918
where: short stacking energy: -625.823
Base-Backbone interact. energy: -3.388
local terms energy: -630.498489
where:
bonds (distance) C4'-P energy: -104.460
bonds (distance) P-C4' energy: -120.621
flat angles C4'-P-C4' energy: -130.963
flat angles P-C4'-P energy: -82.091
tors. eta vs tors. theta energy: -192.364
Dist. restrs. and SS energy: 15.448 (S_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: -2071.089253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.089253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.239088 (E_RNA)
where:
Base-Base interactions energy: -1493.745
where: short stacking energy: -596.136
Base-Backbone interact. energy: -2.487
local terms energy: -590.006892
where:
bonds (distance) C4'-P energy: -98.413
bonds (distance) P-C4' energy: -114.004
flat angles C4'-P-C4' energy: -127.476
flat angles P-C4'-P energy: -73.642
tors. eta vs tors. theta energy: -176.471
Dist. restrs. and SS energy: 15.150 (S_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: 367
Temperature: 0.900000
Total energy: -2858.958012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.958012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.955746 (E_RNA)
where:
Base-Base interactions energy: -2024.554
where: short stacking energy: -832.307
Base-Backbone interact. energy: -2.240
local terms energy: -839.162168
where:
bonds (distance) C4'-P energy: -138.588
bonds (distance) P-C4' energy: -145.035
flat angles C4'-P-C4' energy: -176.602
flat angles P-C4'-P energy: -117.212
tors. eta vs tors. theta energy: -261.725
Dist. restrs. and SS energy: 6.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2699.319352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.319352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.616821 (E_RNA)
where:
Base-Base interactions energy: -1909.620
where: short stacking energy: -778.483
Base-Backbone interact. energy: -2.489
local terms energy: -799.507120
where:
bonds (distance) C4'-P energy: -143.497
bonds (distance) P-C4' energy: -132.821
flat angles C4'-P-C4' energy: -165.825
flat angles P-C4'-P energy: -110.433
tors. eta vs tors. theta energy: -246.931
Dist. restrs. and SS energy: 12.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2681.090552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.090552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.247143 (E_RNA)
where:
Base-Base interactions energy: -1908.491
where: short stacking energy: -779.023
Base-Backbone interact. energy: 0.324
local terms energy: -781.080273
where:
bonds (distance) C4'-P energy: -134.414
bonds (distance) P-C4' energy: -122.034
flat angles C4'-P-C4' energy: -158.228
flat angles P-C4'-P energy: -119.830
tors. eta vs tors. theta energy: -246.573
Dist. restrs. and SS energy: 8.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2584.507661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.507661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.816221 (E_RNA)
where:
Base-Base interactions energy: -1836.864
where: short stacking energy: -763.146
Base-Backbone interact. energy: -2.271
local terms energy: -759.680710
where:
bonds (distance) C4'-P energy: -117.924
bonds (distance) P-C4' energy: -136.287
flat angles C4'-P-C4' energy: -158.626
flat angles P-C4'-P energy: -111.385
tors. eta vs tors. theta energy: -235.459
Dist. restrs. and SS energy: 14.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2514.156492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.156492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.418502 (E_RNA)
where:
Base-Base interactions energy: -1808.382
where: short stacking energy: -741.543
Base-Backbone interact. energy: -1.708
local terms energy: -722.328232
where:
bonds (distance) C4'-P energy: -129.297
bonds (distance) P-C4' energy: -125.195
flat angles C4'-P-C4' energy: -144.734
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -225.957
Dist. restrs. and SS energy: 18.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2429.454013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.454013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.091260 (E_RNA)
where:
Base-Base interactions energy: -1711.537
where: short stacking energy: -671.543
Base-Backbone interact. energy: -0.890
local terms energy: -724.664116
where:
bonds (distance) C4'-P energy: -128.847
bonds (distance) P-C4' energy: -141.945
flat angles C4'-P-C4' energy: -149.279
flat angles P-C4'-P energy: -95.471
tors. eta vs tors. theta energy: -209.122
Dist. restrs. and SS energy: 7.637 (S_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: -2329.153305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.153305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.425825 (E_RNA)
where:
Base-Base interactions energy: -1675.864
where: short stacking energy: -656.518
Base-Backbone interact. energy: 11.068
local terms energy: -677.629942
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -111.324
flat angles C4'-P-C4' energy: -154.547
flat angles P-C4'-P energy: -102.850
tors. eta vs tors. theta energy: -198.203
Dist. restrs. and SS energy: 13.273 (S_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: 367
Temperature: 1.250000
Total energy: -2229.125602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.125602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.339152 (E_RNA)
where:
Base-Base interactions energy: -1556.219
where: short stacking energy: -643.711
Base-Backbone interact. energy: 1.795
local terms energy: -681.915295
where:
bonds (distance) C4'-P energy: -102.712
bonds (distance) P-C4' energy: -132.541
flat angles C4'-P-C4' energy: -142.692
flat angles P-C4'-P energy: -93.017
tors. eta vs tors. theta energy: -210.953
Dist. restrs. and SS energy: 7.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -2186.561016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.561016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.765338 (E_RNA)
where:
Base-Base interactions energy: -1577.096
where: short stacking energy: -636.655
Base-Backbone interact. energy: -0.262
local terms energy: -618.407772
where:
bonds (distance) C4'-P energy: -101.591
bonds (distance) P-C4' energy: -118.939
flat angles C4'-P-C4' energy: -122.730
flat angles P-C4'-P energy: -89.531
tors. eta vs tors. theta energy: -185.617
Dist. restrs. and SS energy: 9.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -2034.109360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.109360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.005232 (E_RNA)
where:
Base-Base interactions energy: -1471.602
where: short stacking energy: -587.530
Base-Backbone interact. energy: -2.345
local terms energy: -583.058084
where:
bonds (distance) C4'-P energy: -130.305
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -110.076
flat angles P-C4'-P energy: -83.183
tors. eta vs tors. theta energy: -166.731
Dist. restrs. and SS energy: 22.896 (S_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: 368
Temperature: 0.900000
Total energy: -2851.589925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.589925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.453280 (E_RNA)
where:
Base-Base interactions energy: -2030.972
where: short stacking energy: -832.543
Base-Backbone interact. energy: -3.045
local terms energy: -824.436017
where:
bonds (distance) C4'-P energy: -133.388
bonds (distance) P-C4' energy: -149.954
flat angles C4'-P-C4' energy: -165.523
flat angles P-C4'-P energy: -122.977
tors. eta vs tors. theta energy: -252.594
Dist. restrs. and SS energy: 6.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2703.612006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.612006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.975096 (E_RNA)
where:
Base-Base interactions energy: -1901.020
where: short stacking energy: -775.269
Base-Backbone interact. energy: -3.671
local terms energy: -811.283852
where:
bonds (distance) C4'-P energy: -143.545
bonds (distance) P-C4' energy: -131.948
flat angles C4'-P-C4' energy: -172.215
flat angles P-C4'-P energy: -119.588
tors. eta vs tors. theta energy: -243.987
Dist. restrs. and SS energy: 12.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2666.830667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.830667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.185720 (E_RNA)
where:
Base-Base interactions energy: -1914.263
where: short stacking energy: -786.616
Base-Backbone interact. energy: -0.224
local terms energy: -763.698656
where:
bonds (distance) C4'-P energy: -135.978
bonds (distance) P-C4' energy: -135.200
flat angles C4'-P-C4' energy: -158.181
flat angles P-C4'-P energy: -101.741
tors. eta vs tors. theta energy: -232.600
Dist. restrs. and SS energy: 11.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2547.947365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.947365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.731697 (E_RNA)
where:
Base-Base interactions energy: -1818.508
where: short stacking energy: -723.936
Base-Backbone interact. energy: 0.950
local terms energy: -749.173641
where:
bonds (distance) C4'-P energy: -124.088
bonds (distance) P-C4' energy: -132.176
flat angles C4'-P-C4' energy: -154.738
flat angles P-C4'-P energy: -111.718
tors. eta vs tors. theta energy: -226.453
Dist. restrs. and SS energy: 18.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2485.926390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.926390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.705407 (E_RNA)
where:
Base-Base interactions energy: -1763.589
where: short stacking energy: -728.074
Base-Backbone interact. energy: -1.554
local terms energy: -731.562487
where:
bonds (distance) C4'-P energy: -128.415
bonds (distance) P-C4' energy: -131.212
flat angles C4'-P-C4' energy: -137.701
flat angles P-C4'-P energy: -100.881
tors. eta vs tors. theta energy: -233.354
Dist. restrs. and SS energy: 10.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2447.059412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.059412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.761928 (E_RNA)
where:
Base-Base interactions energy: -1769.049
where: short stacking energy: -702.547
Base-Backbone interact. energy: 6.556
local terms energy: -689.268415
where:
bonds (distance) C4'-P energy: -112.986
bonds (distance) P-C4' energy: -105.359
flat angles C4'-P-C4' energy: -139.160
flat angles P-C4'-P energy: -104.710
tors. eta vs tors. theta energy: -227.054
Dist. restrs. and SS energy: 4.703 (S_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: -2356.591055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.591055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.750139 (E_RNA)
where:
Base-Base interactions energy: -1687.000
where: short stacking energy: -688.099
Base-Backbone interact. energy: -3.961
local terms energy: -675.789088
where:
bonds (distance) C4'-P energy: -107.598
bonds (distance) P-C4' energy: -114.839
flat angles C4'-P-C4' energy: -143.249
flat angles P-C4'-P energy: -92.435
tors. eta vs tors. theta energy: -217.669
Dist. restrs. and SS energy: 10.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2234.214059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.214059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.559137 (E_RNA)
where:
Base-Base interactions energy: -1592.582
where: short stacking energy: -649.963
Base-Backbone interact. energy: -1.421
local terms energy: -647.555890
where:
bonds (distance) C4'-P energy: -116.038
bonds (distance) P-C4' energy: -119.107
flat angles C4'-P-C4' energy: -128.824
flat angles P-C4'-P energy: -80.233
tors. eta vs tors. theta energy: -203.355
Dist. restrs. and SS energy: 7.345 (S_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: 368
Temperature: 1.300000
Total energy: -2159.663055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.663055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.085451 (E_RNA)
where:
Base-Base interactions energy: -1537.178
where: short stacking energy: -618.845
Base-Backbone interact. energy: -0.870
local terms energy: -632.037168
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -114.858
flat angles C4'-P-C4' energy: -125.881
flat angles P-C4'-P energy: -94.266
tors. eta vs tors. theta energy: -206.785
Dist. restrs. and SS energy: 10.422 (S_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: 368
Temperature: 1.350000
Total energy: -2116.411435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.411435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.801582 (E_RNA)
where:
Base-Base interactions energy: -1516.372
where: short stacking energy: -599.325
Base-Backbone interact. energy: 1.445
local terms energy: -615.874439
where:
bonds (distance) C4'-P energy: -105.669
bonds (distance) P-C4' energy: -119.267
flat angles C4'-P-C4' energy: -127.981
flat angles P-C4'-P energy: -76.769
tors. eta vs tors. theta energy: -186.188
Dist. restrs. and SS energy: 14.390 (S_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: 369
Temperature: 0.900000
Total energy: -2825.587445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.587445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.718413 (E_RNA)
where:
Base-Base interactions energy: -2012.468
where: short stacking energy: -822.632
Base-Backbone interact. energy: -1.430
local terms energy: -818.819449
where:
bonds (distance) C4'-P energy: -134.241
bonds (distance) P-C4' energy: -151.665
flat angles C4'-P-C4' energy: -161.676
flat angles P-C4'-P energy: -119.784
tors. eta vs tors. theta energy: -251.454
Dist. restrs. and SS energy: 7.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2707.551542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.551542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.618527 (E_RNA)
where:
Base-Base interactions energy: -1926.734
where: short stacking energy: -794.417
Base-Backbone interact. energy: -2.034
local terms energy: -788.849877
where:
bonds (distance) C4'-P energy: -126.687
bonds (distance) P-C4' energy: -137.911
flat angles C4'-P-C4' energy: -163.783
flat angles P-C4'-P energy: -116.555
tors. eta vs tors. theta energy: -243.914
Dist. restrs. and SS energy: 10.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2649.949504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.949504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.236587 (E_RNA)
where:
Base-Base interactions energy: -1871.383
where: short stacking energy: -780.930
Base-Backbone interact. energy: 0.979
local terms energy: -787.832423
where:
bonds (distance) C4'-P energy: -131.451
bonds (distance) P-C4' energy: -138.561
flat angles C4'-P-C4' energy: -162.876
flat angles P-C4'-P energy: -109.793
tors. eta vs tors. theta energy: -245.152
Dist. restrs. and SS energy: 8.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2579.794665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.794665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.212595 (E_RNA)
where:
Base-Base interactions energy: -1848.459
where: short stacking energy: -766.552
Base-Backbone interact. energy: -1.473
local terms energy: -750.281282
where:
bonds (distance) C4'-P energy: -118.514
bonds (distance) P-C4' energy: -146.600
flat angles C4'-P-C4' energy: -142.791
flat angles P-C4'-P energy: -112.910
tors. eta vs tors. theta energy: -229.466
Dist. restrs. and SS energy: 20.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2499.342435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.342435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.000049 (E_RNA)
where:
Base-Base interactions energy: -1773.431
where: short stacking energy: -741.958
Base-Backbone interact. energy: 0.408
local terms energy: -738.976911
where:
bonds (distance) C4'-P energy: -124.863
bonds (distance) P-C4' energy: -122.227
flat angles C4'-P-C4' energy: -145.369
flat angles P-C4'-P energy: -110.813
tors. eta vs tors. theta energy: -235.705
Dist. restrs. and SS energy: 12.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2439.690731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.690731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.357068 (E_RNA)
where:
Base-Base interactions energy: -1717.226
where: short stacking energy: -717.259
Base-Backbone interact. energy: -3.086
local terms energy: -730.045268
where:
bonds (distance) C4'-P energy: -117.269
bonds (distance) P-C4' energy: -135.748
flat angles C4'-P-C4' energy: -156.995
flat angles P-C4'-P energy: -98.259
tors. eta vs tors. theta energy: -221.774
Dist. restrs. and SS energy: 10.666 (S_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: -2322.597986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.597986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.853505 (E_RNA)
where:
Base-Base interactions energy: -1663.550
where: short stacking energy: -646.204
Base-Backbone interact. energy: -2.102
local terms energy: -663.201152
where:
bonds (distance) C4'-P energy: -140.758
bonds (distance) P-C4' energy: -109.780
flat angles C4'-P-C4' energy: -135.711
flat angles P-C4'-P energy: -82.895
tors. eta vs tors. theta energy: -194.058
Dist. restrs. and SS energy: 6.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2208.579323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.579323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.766452 (E_RNA)
where:
Base-Base interactions energy: -1569.483
where: short stacking energy: -636.085
Base-Backbone interact. energy: -0.701
local terms energy: -652.582549
where:
bonds (distance) C4'-P energy: -107.887
bonds (distance) P-C4' energy: -116.554
flat angles C4'-P-C4' energy: -140.108
flat angles P-C4'-P energy: -83.766
tors. eta vs tors. theta energy: -204.266
Dist. restrs. and SS energy: 14.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -2192.302910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.302910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.737965 (E_RNA)
where:
Base-Base interactions energy: -1547.368
where: short stacking energy: -621.352
Base-Backbone interact. energy: -2.589
local terms energy: -651.781314
where:
bonds (distance) C4'-P energy: -130.609
bonds (distance) P-C4' energy: -107.186
flat angles C4'-P-C4' energy: -141.293
flat angles P-C4'-P energy: -78.378
tors. eta vs tors. theta energy: -194.314
Dist. restrs. and SS energy: 9.435 (S_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: 369
Temperature: 1.350000
Total energy: -2067.989692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.989692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.996546 (E_RNA)
where:
Base-Base interactions energy: -1477.991
where: short stacking energy: -583.313
Base-Backbone interact. energy: 2.934
local terms energy: -604.939179
where:
bonds (distance) C4'-P energy: -103.729
bonds (distance) P-C4' energy: -107.048
flat angles C4'-P-C4' energy: -119.776
flat angles P-C4'-P energy: -92.400
tors. eta vs tors. theta energy: -181.986
Dist. restrs. and SS energy: 12.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2818.538231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.538231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.848522 (E_RNA)
where:
Base-Base interactions energy: -1994.062
where: short stacking energy: -826.964
Base-Backbone interact. energy: -0.440
local terms energy: -829.346456
where:
bonds (distance) C4'-P energy: -142.615
bonds (distance) P-C4' energy: -126.924
flat angles C4'-P-C4' energy: -172.050
flat angles P-C4'-P energy: -130.190
tors. eta vs tors. theta energy: -257.568
Dist. restrs. and SS energy: 5.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2719.410216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.410216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.491440 (E_RNA)
where:
Base-Base interactions energy: -1908.259
where: short stacking energy: -782.104
Base-Backbone interact. energy: -0.598
local terms energy: -820.633654
where:
bonds (distance) C4'-P energy: -141.583
bonds (distance) P-C4' energy: -142.556
flat angles C4'-P-C4' energy: -172.528
flat angles P-C4'-P energy: -110.801
tors. eta vs tors. theta energy: -253.165
Dist. restrs. and SS energy: 10.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2615.058037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.058037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.619147 (E_RNA)
where:
Base-Base interactions energy: -1865.849
where: short stacking energy: -755.235
Base-Backbone interact. energy: -1.836
local terms energy: -753.934115
where:
bonds (distance) C4'-P energy: -129.995
bonds (distance) P-C4' energy: -117.782
flat angles C4'-P-C4' energy: -148.257
flat angles P-C4'-P energy: -118.830
tors. eta vs tors. theta energy: -239.069
Dist. restrs. and SS energy: 6.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2537.263853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.263853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.134322 (E_RNA)
where:
Base-Base interactions energy: -1822.210
where: short stacking energy: -729.725
Base-Backbone interact. energy: 2.475
local terms energy: -732.399394
where:
bonds (distance) C4'-P energy: -133.027
bonds (distance) P-C4' energy: -122.390
flat angles C4'-P-C4' energy: -152.082
flat angles P-C4'-P energy: -96.559
tors. eta vs tors. theta energy: -228.341
Dist. restrs. and SS energy: 14.870 (S_DIST_RNA)
chem. 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: -2484.778071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.778071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.340401 (E_RNA)
where:
Base-Base interactions energy: -1781.842
where: short stacking energy: -719.010
Base-Backbone interact. energy: 1.604
local terms energy: -714.102159
where:
bonds (distance) C4'-P energy: -114.641
bonds (distance) P-C4' energy: -131.488
flat angles C4'-P-C4' energy: -140.615
flat angles P-C4'-P energy: -99.376
tors. eta vs tors. theta energy: -227.982
Dist. restrs. and SS energy: 9.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2444.713192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.713192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.353634 (E_RNA)
where:
Base-Base interactions energy: -1761.547
where: short stacking energy: -723.206
Base-Backbone interact. energy: -1.413
local terms energy: -693.393251
where:
bonds (distance) C4'-P energy: -113.305
bonds (distance) P-C4' energy: -119.437
flat angles C4'-P-C4' energy: -136.711
flat angles P-C4'-P energy: -90.366
tors. eta vs tors. theta energy: -233.573
Dist. restrs. and SS energy: 11.640 (S_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: -2289.690954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.690954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.483433 (E_RNA)
where:
Base-Base interactions energy: -1630.589
where: short stacking energy: -661.898
Base-Backbone interact. energy: -3.767
local terms energy: -663.127812
where:
bonds (distance) C4'-P energy: -118.441
bonds (distance) P-C4' energy: -117.729
flat angles C4'-P-C4' energy: -145.180
flat angles P-C4'-P energy: -86.367
tors. eta vs tors. theta energy: -195.411
Dist. restrs. and SS energy: 7.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2233.610867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.610867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.277439 (E_RNA)
where:
Base-Base interactions energy: -1610.124
where: short stacking energy: -660.915
Base-Backbone interact. energy: -2.473
local terms energy: -629.680793
where:
bonds (distance) C4'-P energy: -109.351
bonds (distance) P-C4' energy: -109.271
flat angles C4'-P-C4' energy: -143.626
flat angles P-C4'-P energy: -71.307
tors. eta vs tors. theta energy: -196.127
Dist. restrs. and SS energy: 8.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -2118.964290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.964290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.071692 (E_RNA)
where:
Base-Base interactions energy: -1512.214
where: short stacking energy: -607.712
Base-Backbone interact. energy: -1.185
local terms energy: -616.672783
where:
bonds (distance) C4'-P energy: -103.688
bonds (distance) P-C4' energy: -115.550
flat angles C4'-P-C4' energy: -127.464
flat angles P-C4'-P energy: -95.721
tors. eta vs tors. theta energy: -174.250
Dist. restrs. and SS energy: 11.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -2105.444612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.444612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.094502 (E_RNA)
where:
Base-Base interactions energy: -1511.130
where: short stacking energy: -591.706
Base-Backbone interact. energy: -1.055
local terms energy: -597.909500
where:
bonds (distance) C4'-P energy: -99.746
bonds (distance) P-C4' energy: -113.734
flat angles C4'-P-C4' energy: -126.175
flat angles P-C4'-P energy: -92.092
tors. eta vs tors. theta energy: -166.163
Dist. restrs. and SS energy: 4.650 (S_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: -2816.711841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.711841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.916125 (E_RNA)
where:
Base-Base interactions energy: -2003.804
where: short stacking energy: -823.443
Base-Backbone interact. energy: -1.490
local terms energy: -818.622321
where:
bonds (distance) C4'-P energy: -152.539
bonds (distance) P-C4' energy: -135.697
flat angles C4'-P-C4' energy: -161.649
flat angles P-C4'-P energy: -117.369
tors. eta vs tors. theta energy: -251.369
Dist. restrs. and SS energy: 7.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2706.532252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.532252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.554981 (E_RNA)
where:
Base-Base interactions energy: -1899.682
where: short stacking energy: -777.703
Base-Backbone interact. energy: -2.425
local terms energy: -812.448652
where:
bonds (distance) C4'-P energy: -141.223
bonds (distance) P-C4' energy: -144.476
flat angles C4'-P-C4' energy: -170.163
flat angles P-C4'-P energy: -109.448
tors. eta vs tors. theta energy: -247.139
Dist. restrs. and SS energy: 8.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2657.987205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.987205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.241608 (E_RNA)
where:
Base-Base interactions energy: -1879.171
where: short stacking energy: -772.335
Base-Backbone interact. energy: -2.036
local terms energy: -786.034557
where:
bonds (distance) C4'-P energy: -137.036
bonds (distance) P-C4' energy: -135.343
flat angles C4'-P-C4' energy: -159.829
flat angles P-C4'-P energy: -110.418
tors. eta vs tors. theta energy: -243.409
Dist. restrs. and SS energy: 9.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2556.514375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.514375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.064178 (E_RNA)
where:
Base-Base interactions energy: -1831.732
where: short stacking energy: -759.890
Base-Backbone interact. energy: -2.788
local terms energy: -732.544788
where:
bonds (distance) C4'-P energy: -122.485
bonds (distance) P-C4' energy: -118.562
flat angles C4'-P-C4' energy: -164.678
flat angles P-C4'-P energy: -95.695
tors. eta vs tors. theta energy: -231.125
Dist. restrs. and SS energy: 10.550 (S_DIST_RNA)
chem. 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: -2537.940812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.940812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.415491 (E_RNA)
where:
Base-Base interactions energy: -1818.439
where: short stacking energy: -748.198
Base-Backbone interact. energy: 2.051
local terms energy: -728.027578
where:
bonds (distance) C4'-P energy: -121.812
bonds (distance) P-C4' energy: -134.759
flat angles C4'-P-C4' energy: -140.928
flat angles P-C4'-P energy: -104.619
tors. eta vs tors. theta energy: -225.910
Dist. restrs. and SS energy: 6.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2364.012467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.012467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.092130 (E_RNA)
where:
Base-Base interactions energy: -1681.985
where: short stacking energy: -683.554
Base-Backbone interact. energy: -0.561
local terms energy: -687.546000
where:
bonds (distance) C4'-P energy: -103.761
bonds (distance) P-C4' energy: -127.983
flat angles C4'-P-C4' energy: -142.688
flat angles P-C4'-P energy: -100.221
tors. eta vs tors. theta energy: -212.893
Dist. restrs. and SS energy: 6.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2371.201049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.201049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.622514 (E_RNA)
where:
Base-Base interactions energy: -1692.001
where: short stacking energy: -697.074
Base-Backbone interact. energy: 2.205
local terms energy: -690.826073
where:
bonds (distance) C4'-P energy: -92.452
bonds (distance) P-C4' energy: -121.799
flat angles C4'-P-C4' energy: -152.666
flat angles P-C4'-P energy: -102.484
tors. eta vs tors. theta energy: -221.426
Dist. restrs. and SS energy: 9.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2210.545321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.545321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.886899 (E_RNA)
where:
Base-Base interactions energy: -1594.739
where: short stacking energy: -648.517
Base-Backbone interact. energy: 2.531
local terms energy: -630.679437
where:
bonds (distance) C4'-P energy: -105.965
bonds (distance) P-C4' energy: -125.188
flat angles C4'-P-C4' energy: -109.333
flat angles P-C4'-P energy: -105.686
tors. eta vs tors. theta energy: -184.508
Dist. restrs. and SS energy: 12.342 (S_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: 371
Temperature: 1.300000
Total energy: -2128.923352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.923352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.594235 (E_RNA)
where:
Base-Base interactions energy: -1529.275
where: short stacking energy: -610.439
Base-Backbone interact. energy: -1.223
local terms energy: -613.095622
where:
bonds (distance) C4'-P energy: -107.495
bonds (distance) P-C4' energy: -107.826
flat angles C4'-P-C4' energy: -135.517
flat angles P-C4'-P energy: -89.211
tors. eta vs tors. theta energy: -173.048
Dist. restrs. and SS energy: 14.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -2060.758049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.758049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.874192 (E_RNA)
where:
Base-Base interactions energy: -1497.619
where: short stacking energy: -608.675
Base-Backbone interact. energy: -3.003
local terms energy: -577.252680
where:
bonds (distance) C4'-P energy: -110.722
bonds (distance) P-C4' energy: -96.286
flat angles C4'-P-C4' energy: -132.964
flat angles P-C4'-P energy: -65.055
tors. eta vs tors. theta energy: -172.225
Dist. restrs. and SS energy: 17.116 (S_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: -2839.243076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.243076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.395614 (E_RNA)
where:
Base-Base interactions energy: -2031.824
where: short stacking energy: -810.211
Base-Backbone interact. energy: 0.825
local terms energy: -816.397006
where:
bonds (distance) C4'-P energy: -133.617
bonds (distance) P-C4' energy: -138.953
flat angles C4'-P-C4' energy: -177.765
flat angles P-C4'-P energy: -104.996
tors. eta vs tors. theta energy: -261.066
Dist. restrs. and SS energy: 8.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2678.598345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.598345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.915909 (E_RNA)
where:
Base-Base interactions energy: -1887.846
where: short stacking energy: -781.455
Base-Backbone interact. energy: -2.276
local terms energy: -799.793981
where:
bonds (distance) C4'-P energy: -127.135
bonds (distance) P-C4' energy: -142.160
flat angles C4'-P-C4' energy: -164.003
flat angles P-C4'-P energy: -118.518
tors. eta vs tors. theta energy: -247.979
Dist. restrs. and SS energy: 11.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2623.377579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.377579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.849463 (E_RNA)
where:
Base-Base interactions energy: -1861.660
where: short stacking energy: -743.397
Base-Backbone interact. energy: 1.611
local terms energy: -770.800316
where:
bonds (distance) C4'-P energy: -129.996
bonds (distance) P-C4' energy: -135.669
flat angles C4'-P-C4' energy: -163.229
flat angles P-C4'-P energy: -104.135
tors. eta vs tors. theta energy: -237.772
Dist. restrs. and SS energy: 7.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2550.984896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.984896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.088905 (E_RNA)
where:
Base-Base interactions energy: -1778.102
where: short stacking energy: -719.997
Base-Backbone interact. energy: -1.832
local terms energy: -783.154797
where:
bonds (distance) C4'-P energy: -138.250
bonds (distance) P-C4' energy: -114.850
flat angles C4'-P-C4' energy: -176.611
flat angles P-C4'-P energy: -120.564
tors. eta vs tors. theta energy: -232.879
Dist. restrs. and SS energy: 12.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2483.443879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.443879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.234502 (E_RNA)
where:
Base-Base interactions energy: -1769.673
where: short stacking energy: -722.952
Base-Backbone interact. energy: -2.054
local terms energy: -719.507624
where:
bonds (distance) C4'-P energy: -120.966
bonds (distance) P-C4' energy: -119.366
flat angles C4'-P-C4' energy: -149.816
flat angles P-C4'-P energy: -102.538
tors. eta vs tors. theta energy: -226.821
Dist. restrs. and SS energy: 7.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2364.386580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.386580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.105359 (E_RNA)
where:
Base-Base interactions energy: -1698.025
where: short stacking energy: -681.892
Base-Backbone interact. energy: -4.259
local terms energy: -672.821700
where:
bonds (distance) C4'-P energy: -110.532
bonds (distance) P-C4' energy: -120.704
flat angles C4'-P-C4' energy: -143.119
flat angles P-C4'-P energy: -91.289
tors. eta vs tors. theta energy: -207.178
Dist. restrs. and SS energy: 10.719 (S_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: 372
Temperature: 1.200000
Total energy: -2377.131448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.131448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.721944 (E_RNA)
where:
Base-Base interactions energy: -1705.328
where: short stacking energy: -692.325
Base-Backbone interact. energy: -3.484
local terms energy: -678.910295
where:
bonds (distance) C4'-P energy: -116.041
bonds (distance) P-C4' energy: -111.869
flat angles C4'-P-C4' energy: -155.959
flat angles P-C4'-P energy: -77.690
tors. eta vs tors. theta energy: -217.352
Dist. restrs. and SS energy: 10.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2261.404733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.404733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.383400 (E_RNA)
where:
Base-Base interactions energy: -1605.384
where: short stacking energy: -650.760
Base-Backbone interact. energy: -0.124
local terms energy: -664.875670
where:
bonds (distance) C4'-P energy: -122.608
bonds (distance) P-C4' energy: -117.621
flat angles C4'-P-C4' energy: -137.791
flat angles P-C4'-P energy: -90.184
tors. eta vs tors. theta energy: -196.672
Dist. restrs. and SS energy: 8.979 (S_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: 372
Temperature: 1.300000
Total energy: -2139.048147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.048147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.382787 (E_RNA)
where:
Base-Base interactions energy: -1546.015
where: short stacking energy: -631.122
Base-Backbone interact. energy: 3.031
local terms energy: -616.398139
where:
bonds (distance) C4'-P energy: -114.258
bonds (distance) P-C4' energy: -124.942
flat angles C4'-P-C4' energy: -116.563
flat angles P-C4'-P energy: -82.232
tors. eta vs tors. theta energy: -178.404
Dist. restrs. and SS energy: 20.335 (S_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: 372
Temperature: 1.350000
Total energy: -2115.404837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.404837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.105671 (E_RNA)
where:
Base-Base interactions energy: -1517.372
where: short stacking energy: -595.975
Base-Backbone interact. energy: -3.570
local terms energy: -606.164110
where:
bonds (distance) C4'-P energy: -111.176
bonds (distance) P-C4' energy: -93.258
flat angles C4'-P-C4' energy: -147.384
flat angles P-C4'-P energy: -71.642
tors. eta vs tors. theta energy: -182.704
Dist. restrs. and SS energy: 11.701 (S_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: -2827.213550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.213550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.277237 (E_RNA)
where:
Base-Base interactions energy: -1998.360
where: short stacking energy: -824.002
Base-Backbone interact. energy: 0.211
local terms energy: -838.128409
where:
bonds (distance) C4'-P energy: -149.607
bonds (distance) P-C4' energy: -141.232
flat angles C4'-P-C4' energy: -166.719
flat angles P-C4'-P energy: -125.273
tors. eta vs tors. theta energy: -255.296
Dist. restrs. and SS energy: 9.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2693.142998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.142998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.392011 (E_RNA)
where:
Base-Base interactions energy: -1879.558
where: short stacking energy: -770.084
Base-Backbone interact. energy: -1.532
local terms energy: -820.302415
where:
bonds (distance) C4'-P energy: -142.335
bonds (distance) P-C4' energy: -149.691
flat angles C4'-P-C4' energy: -172.617
flat angles P-C4'-P energy: -114.526
tors. eta vs tors. theta energy: -241.133
Dist. restrs. and SS energy: 8.249 (S_DIST_RNA)
chem. 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: -2618.496538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.496538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.694000 (E_RNA)
where:
Base-Base interactions energy: -1838.654
where: short stacking energy: -761.611
Base-Backbone interact. energy: -2.909
local terms energy: -783.130352
where:
bonds (distance) C4'-P energy: -122.542
bonds (distance) P-C4' energy: -146.063
flat angles C4'-P-C4' energy: -168.492
flat angles P-C4'-P energy: -103.599
tors. eta vs tors. theta energy: -242.434
Dist. restrs. and SS energy: 6.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2556.740112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.740112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.510035 (E_RNA)
where:
Base-Base interactions energy: -1820.858
where: short stacking energy: -737.152
Base-Backbone interact. energy: 0.373
local terms energy: -753.025442
where:
bonds (distance) C4'-P energy: -132.361
bonds (distance) P-C4' energy: -125.739
flat angles C4'-P-C4' energy: -159.449
flat angles P-C4'-P energy: -109.564
tors. eta vs tors. theta energy: -225.913
Dist. restrs. and SS energy: 16.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2466.600200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.600200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.543943 (E_RNA)
where:
Base-Base interactions energy: -1750.357
where: short stacking energy: -720.437
Base-Backbone interact. energy: -0.010
local terms energy: -724.177298
where:
bonds (distance) C4'-P energy: -120.075
bonds (distance) P-C4' energy: -118.616
flat angles C4'-P-C4' energy: -159.608
flat angles P-C4'-P energy: -113.085
tors. eta vs tors. theta energy: -212.793
Dist. restrs. and SS energy: 7.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2388.202959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.202959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.966555 (E_RNA)
where:
Base-Base interactions energy: -1728.820
where: short stacking energy: -693.767
Base-Backbone interact. energy: -2.170
local terms energy: -674.977360
where:
bonds (distance) C4'-P energy: -115.849
bonds (distance) P-C4' energy: -111.405
flat angles C4'-P-C4' energy: -142.550
flat angles P-C4'-P energy: -88.631
tors. eta vs tors. theta energy: -216.541
Dist. restrs. and SS energy: 17.764 (S_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: -2330.213623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.213623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.413419 (E_RNA)
where:
Base-Base interactions energy: -1643.741
where: short stacking energy: -656.756
Base-Backbone interact. energy: 0.548
local terms energy: -696.220648
where:
bonds (distance) C4'-P energy: -132.153
bonds (distance) P-C4' energy: -123.803
flat angles C4'-P-C4' energy: -146.903
flat angles P-C4'-P energy: -89.978
tors. eta vs tors. theta energy: -203.384
Dist. restrs. and SS energy: 9.200 (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: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2190.878437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.878437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.455303 (E_RNA)
where:
Base-Base interactions energy: -1566.959
where: short stacking energy: -619.288
Base-Backbone interact. energy: -0.110
local terms energy: -631.386527
where:
bonds (distance) C4'-P energy: -99.058
bonds (distance) P-C4' energy: -113.818
flat angles C4'-P-C4' energy: -146.443
flat angles P-C4'-P energy: -83.296
tors. eta vs tors. theta energy: -188.771
Dist. restrs. and SS energy: 7.577 (S_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: 373
Temperature: 1.300000
Total energy: -2121.841046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.841046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.670388 (E_RNA)
where:
Base-Base interactions energy: -1496.706
where: short stacking energy: -602.694
Base-Backbone interact. energy: 1.586
local terms energy: -642.550778
where:
bonds (distance) C4'-P energy: -118.014
bonds (distance) P-C4' energy: -116.927
flat angles C4'-P-C4' energy: -133.300
flat angles P-C4'-P energy: -82.440
tors. eta vs tors. theta energy: -191.870
Dist. restrs. and SS energy: 15.829 (S_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: 373
Temperature: 1.350000
Total energy: -2067.587165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.587165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.460458 (E_RNA)
where:
Base-Base interactions energy: -1481.864
where: short stacking energy: -582.732
Base-Backbone interact. energy: -1.879
local terms energy: -592.717161
where:
bonds (distance) C4'-P energy: -94.421
bonds (distance) P-C4' energy: -103.338
flat angles C4'-P-C4' energy: -131.712
flat angles P-C4'-P energy: -78.764
tors. eta vs tors. theta energy: -184.481
Dist. restrs. and SS energy: 8.873 (S_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: -2823.224121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.224121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.707234 (E_RNA)
where:
Base-Base interactions energy: -2002.425
where: short stacking energy: -820.169
Base-Backbone interact. energy: -0.755
local terms energy: -829.527735
where:
bonds (distance) C4'-P energy: -136.213
bonds (distance) P-C4' energy: -147.756
flat angles C4'-P-C4' energy: -176.281
flat angles P-C4'-P energy: -120.343
tors. eta vs tors. theta energy: -248.935
Dist. restrs. and SS energy: 9.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2683.241940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.241940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.682874 (E_RNA)
where:
Base-Base interactions energy: -1897.258
where: short stacking energy: -782.541
Base-Backbone interact. energy: -4.872
local terms energy: -792.552531
where:
bonds (distance) C4'-P energy: -131.410
bonds (distance) P-C4' energy: -123.162
flat angles C4'-P-C4' energy: -183.018
flat angles P-C4'-P energy: -109.023
tors. eta vs tors. theta energy: -245.940
Dist. restrs. and SS energy: 11.441 (S_DIST_RNA)
chem. 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: -2617.792982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.792982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.381730 (E_RNA)
where:
Base-Base interactions energy: -1879.887
where: short stacking energy: -776.002
Base-Backbone interact. energy: -0.186
local terms energy: -746.308133
where:
bonds (distance) C4'-P energy: -138.196
bonds (distance) P-C4' energy: -109.740
flat angles C4'-P-C4' energy: -158.823
flat angles P-C4'-P energy: -95.899
tors. eta vs tors. theta energy: -243.650
Dist. restrs. and SS energy: 8.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2569.990735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.990735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.610145 (E_RNA)
where:
Base-Base interactions energy: -1817.713
where: short stacking energy: -729.871
Base-Backbone interact. energy: -1.170
local terms energy: -763.726687
where:
bonds (distance) C4'-P energy: -130.009
bonds (distance) P-C4' energy: -129.911
flat angles C4'-P-C4' energy: -163.548
flat angles P-C4'-P energy: -108.588
tors. eta vs tors. theta energy: -231.672
Dist. restrs. and SS energy: 12.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2470.301475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.301475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.541624 (E_RNA)
where:
Base-Base interactions energy: -1761.283
where: short stacking energy: -714.785
Base-Backbone interact. energy: 0.332
local terms energy: -719.590390
where:
bonds (distance) C4'-P energy: -133.048
bonds (distance) P-C4' energy: -114.546
flat angles C4'-P-C4' energy: -135.967
flat angles P-C4'-P energy: -105.110
tors. eta vs tors. theta energy: -230.920
Dist. restrs. and SS energy: 10.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2392.622070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.622070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.860064 (E_RNA)
where:
Base-Base interactions energy: -1721.233
where: short stacking energy: -702.467
Base-Backbone interact. energy: -2.206
local terms energy: -685.420750
where:
bonds (distance) C4'-P energy: -105.454
bonds (distance) P-C4' energy: -116.581
flat angles C4'-P-C4' energy: -149.671
flat angles P-C4'-P energy: -91.648
tors. eta vs tors. theta energy: -222.066
Dist. restrs. and SS energy: 16.238 (S_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: 374
Temperature: 1.200000
Total energy: -2325.445071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.445071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.018217 (E_RNA)
where:
Base-Base interactions energy: -1675.158
where: short stacking energy: -659.470
Base-Backbone interact. energy: -0.894
local terms energy: -657.966496
where:
bonds (distance) C4'-P energy: -108.360
bonds (distance) P-C4' energy: -106.640
flat angles C4'-P-C4' energy: -147.917
flat angles P-C4'-P energy: -96.393
tors. eta vs tors. theta energy: -198.657
Dist. restrs. and SS energy: 8.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -2191.336430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.336430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.157530 (E_RNA)
where:
Base-Base interactions energy: -1558.060
where: short stacking energy: -636.253
Base-Backbone interact. energy: -1.950
local terms energy: -640.147021
where:
bonds (distance) C4'-P energy: -107.704
bonds (distance) P-C4' energy: -108.583
flat angles C4'-P-C4' energy: -141.348
flat angles P-C4'-P energy: -90.178
tors. eta vs tors. theta energy: -192.334
Dist. restrs. and SS energy: 8.821 (S_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: 374
Temperature: 1.300000
Total energy: -2115.463831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.463831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.292018 (E_RNA)
where:
Base-Base interactions energy: -1513.845
where: short stacking energy: -614.353
Base-Backbone interact. energy: -1.252
local terms energy: -612.195806
where:
bonds (distance) C4'-P energy: -101.424
bonds (distance) P-C4' energy: -107.866
flat angles C4'-P-C4' energy: -134.400
flat angles P-C4'-P energy: -89.932
tors. eta vs tors. theta energy: -178.574
Dist. restrs. and SS energy: 11.828 (S_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: 374
Temperature: 1.350000
Total energy: -2082.700978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.700978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.743174 (E_RNA)
where:
Base-Base interactions energy: -1510.160
where: short stacking energy: -605.112
Base-Backbone interact. energy: -1.328
local terms energy: -582.255959
where:
bonds (distance) C4'-P energy: -89.238
bonds (distance) P-C4' energy: -84.722
flat angles C4'-P-C4' energy: -133.768
flat angles P-C4'-P energy: -80.321
tors. eta vs tors. theta energy: -194.207
Dist. restrs. and SS energy: 11.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2803.531542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.531542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.430279 (E_RNA)
where:
Base-Base interactions energy: -1980.740
where: short stacking energy: -813.502
Base-Backbone interact. energy: -0.181
local terms energy: -829.509764
where:
bonds (distance) C4'-P energy: -135.653
bonds (distance) P-C4' energy: -141.605
flat angles C4'-P-C4' energy: -175.919
flat angles P-C4'-P energy: -122.676
tors. eta vs tors. theta energy: -253.658
Dist. restrs. and SS energy: 6.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2686.067277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.067277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.182700 (E_RNA)
where:
Base-Base interactions energy: -1932.451
where: short stacking energy: -789.073
Base-Backbone interact. energy: -1.748
local terms energy: -762.982889
where:
bonds (distance) C4'-P energy: -119.989
bonds (distance) P-C4' energy: -124.802
flat angles C4'-P-C4' energy: -160.200
flat angles P-C4'-P energy: -109.142
tors. eta vs tors. theta energy: -248.850
Dist. restrs. and SS energy: 11.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2645.447988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.447988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.387733 (E_RNA)
where:
Base-Base interactions energy: -1885.702
where: short stacking energy: -774.914
Base-Backbone interact. energy: -4.610
local terms energy: -760.076384
where:
bonds (distance) C4'-P energy: -114.951
bonds (distance) P-C4' energy: -137.241
flat angles C4'-P-C4' energy: -165.980
flat angles P-C4'-P energy: -108.892
tors. eta vs tors. theta energy: -233.012
Dist. restrs. and SS energy: 4.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2561.376384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.376384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.864671 (E_RNA)
where:
Base-Base interactions energy: -1842.309
where: short stacking energy: -743.324
Base-Backbone interact. energy: -2.470
local terms energy: -732.086212
where:
bonds (distance) C4'-P energy: -116.526
bonds (distance) P-C4' energy: -135.182
flat angles C4'-P-C4' energy: -152.573
flat angles P-C4'-P energy: -97.079
tors. eta vs tors. theta energy: -230.727
Dist. restrs. and SS energy: 15.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2489.980796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.980796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.551977 (E_RNA)
where:
Base-Base interactions energy: -1758.343
where: short stacking energy: -727.355
Base-Backbone interact. energy: 1.455
local terms energy: -740.664036
where:
bonds (distance) C4'-P energy: -119.587
bonds (distance) P-C4' energy: -137.654
flat angles C4'-P-C4' energy: -155.655
flat angles P-C4'-P energy: -99.143
tors. eta vs tors. theta energy: -228.625
Dist. restrs. and SS energy: 7.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2400.510447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.510447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.794281 (E_RNA)
where:
Base-Base interactions energy: -1728.384
where: short stacking energy: -681.916
Base-Backbone interact. energy: -0.192
local terms energy: -683.218631
where:
bonds (distance) C4'-P energy: -107.300
bonds (distance) P-C4' energy: -125.050
flat angles C4'-P-C4' energy: -148.456
flat angles P-C4'-P energy: -92.806
tors. eta vs tors. theta energy: -209.606
Dist. restrs. and SS energy: 11.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2331.507242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.507242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.167636 (E_RNA)
where:
Base-Base interactions energy: -1669.834
where: short stacking energy: -657.594
Base-Backbone interact. energy: -1.453
local terms energy: -667.880769
where:
bonds (distance) C4'-P energy: -114.938
bonds (distance) P-C4' energy: -102.718
flat angles C4'-P-C4' energy: -147.001
flat angles P-C4'-P energy: -96.749
tors. eta vs tors. theta energy: -206.474
Dist. restrs. and SS energy: 7.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2198.853844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.853844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.588750 (E_RNA)
where:
Base-Base interactions energy: -1606.411
where: short stacking energy: -644.335
Base-Backbone interact. energy: -2.550
local terms energy: -597.627679
where:
bonds (distance) C4'-P energy: -111.447
bonds (distance) P-C4' energy: -88.042
flat angles C4'-P-C4' energy: -115.978
flat angles P-C4'-P energy: -95.519
tors. eta vs tors. theta energy: -186.642
Dist. restrs. and SS energy: 7.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -2153.589204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.589204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.180113 (E_RNA)
where:
Base-Base interactions energy: -1538.508
where: short stacking energy: -613.112
Base-Backbone interact. energy: 0.377
local terms energy: -623.049264
where:
bonds (distance) C4'-P energy: -109.843
bonds (distance) P-C4' energy: -112.520
flat angles C4'-P-C4' energy: -131.295
flat angles P-C4'-P energy: -83.425
tors. eta vs tors. theta energy: -185.967
Dist. restrs. and SS energy: 7.591 (S_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: 375
Temperature: 1.350000
Total energy: -2117.079015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.079015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.968578 (E_RNA)
where:
Base-Base interactions energy: -1526.603
where: short stacking energy: -590.310
Base-Backbone interact. energy: -3.354
local terms energy: -598.011883
where:
bonds (distance) C4'-P energy: -97.267
bonds (distance) P-C4' energy: -115.745
flat angles C4'-P-C4' energy: -122.456
flat angles P-C4'-P energy: -75.169
tors. eta vs tors. theta energy: -187.375
Dist. restrs. and SS energy: 10.890 (S_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: -2796.781365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.781365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.048402 (E_RNA)
where:
Base-Base interactions energy: -1987.427
where: short stacking energy: -810.523
Base-Backbone interact. energy: -3.495
local terms energy: -814.126491
where:
bonds (distance) C4'-P energy: -135.249
bonds (distance) P-C4' energy: -139.033
flat angles C4'-P-C4' energy: -162.557
flat angles P-C4'-P energy: -124.216
tors. eta vs tors. theta energy: -253.071
Dist. restrs. and SS energy: 8.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2698.845163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.845163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.121124 (E_RNA)
where:
Base-Base interactions energy: -1899.684
where: short stacking energy: -787.443
Base-Backbone interact. energy: -0.131
local terms energy: -808.305733
where:
bonds (distance) C4'-P energy: -147.581
bonds (distance) P-C4' energy: -130.531
flat angles C4'-P-C4' energy: -165.887
flat angles P-C4'-P energy: -113.492
tors. eta vs tors. theta energy: -250.814
Dist. restrs. and SS energy: 9.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2662.263105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.263105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.193280 (E_RNA)
where:
Base-Base interactions energy: -1887.825
where: short stacking energy: -761.822
Base-Backbone interact. energy: -0.220
local terms energy: -779.148636
where:
bonds (distance) C4'-P energy: -141.579
bonds (distance) P-C4' energy: -131.912
flat angles C4'-P-C4' energy: -153.332
flat angles P-C4'-P energy: -112.159
tors. eta vs tors. theta energy: -240.167
Dist. restrs. and SS energy: 4.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2557.032799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.032799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.338523 (E_RNA)
where:
Base-Base interactions energy: -1840.603
where: short stacking energy: -741.465
Base-Backbone interact. energy: 1.838
local terms energy: -729.573338
where:
bonds (distance) C4'-P energy: -134.477
bonds (distance) P-C4' energy: -128.103
flat angles C4'-P-C4' energy: -151.072
flat angles P-C4'-P energy: -89.360
tors. eta vs tors. theta energy: -226.561
Dist. restrs. and SS energy: 11.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2478.210106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.210106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.857124 (E_RNA)
where:
Base-Base interactions energy: -1767.974
where: short stacking energy: -726.069
Base-Backbone interact. energy: -1.302
local terms energy: -716.581406
where:
bonds (distance) C4'-P energy: -116.036
bonds (distance) P-C4' energy: -125.136
flat angles C4'-P-C4' energy: -154.884
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -225.252
Dist. restrs. and SS energy: 7.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2372.753832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.753832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.310781 (E_RNA)
where:
Base-Base interactions energy: -1689.184
where: short stacking energy: -678.765
Base-Backbone interact. energy: -0.541
local terms energy: -696.585327
where:
bonds (distance) C4'-P energy: -129.234
bonds (distance) P-C4' energy: -117.724
flat angles C4'-P-C4' energy: -136.828
flat angles P-C4'-P energy: -106.946
tors. eta vs tors. theta energy: -205.854
Dist. restrs. and SS energy: 13.557 (S_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: 376
Temperature: 1.200000
Total energy: -2363.243230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.243230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.861407 (E_RNA)
where:
Base-Base interactions energy: -1675.907
where: short stacking energy: -645.986
Base-Backbone interact. energy: -2.844
local terms energy: -692.109939
where:
bonds (distance) C4'-P energy: -104.632
bonds (distance) P-C4' energy: -128.283
flat angles C4'-P-C4' energy: -143.193
flat angles P-C4'-P energy: -97.158
tors. eta vs tors. theta energy: -218.844
Dist. restrs. and SS energy: 7.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2228.870087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.870087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.478520 (E_RNA)
where:
Base-Base interactions energy: -1600.414
where: short stacking energy: -627.579
Base-Backbone interact. energy: 4.135
local terms energy: -637.199526
where:
bonds (distance) C4'-P energy: -103.088
bonds (distance) P-C4' energy: -113.351
flat angles C4'-P-C4' energy: -127.044
flat angles P-C4'-P energy: -98.496
tors. eta vs tors. theta energy: -195.220
Dist. restrs. and SS energy: 4.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -2173.343154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.343154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.844813 (E_RNA)
where:
Base-Base interactions energy: -1542.531
where: short stacking energy: -622.282
Base-Backbone interact. energy: -2.739
local terms energy: -639.574938
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -119.608
flat angles C4'-P-C4' energy: -127.916
flat angles P-C4'-P energy: -93.102
tors. eta vs tors. theta energy: -191.734
Dist. restrs. and SS energy: 11.502 (S_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: 376
Temperature: 1.350000
Total energy: -2100.720696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.720696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.475506 (E_RNA)
where:
Base-Base interactions energy: -1480.141
where: short stacking energy: -614.332
Base-Backbone interact. energy: -2.077
local terms energy: -632.258063
where:
bonds (distance) C4'-P energy: -123.913
bonds (distance) P-C4' energy: -105.696
flat angles C4'-P-C4' energy: -131.481
flat angles P-C4'-P energy: -86.903
tors. eta vs tors. theta energy: -184.265
Dist. restrs. and SS energy: 13.755 (S_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: -2799.612260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.612260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.076853 (E_RNA)
where:
Base-Base interactions energy: -2001.203
where: short stacking energy: -832.116
Base-Backbone interact. energy: -2.442
local terms energy: -805.431224
where:
bonds (distance) C4'-P energy: -128.116
bonds (distance) P-C4' energy: -133.990
flat angles C4'-P-C4' energy: -167.688
flat angles P-C4'-P energy: -125.195
tors. eta vs tors. theta energy: -250.442
Dist. restrs. and SS energy: 9.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2705.963614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.963614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.005422 (E_RNA)
where:
Base-Base interactions energy: -1906.453
where: short stacking energy: -787.558
Base-Backbone interact. energy: -2.802
local terms energy: -805.750629
where:
bonds (distance) C4'-P energy: -148.753
bonds (distance) P-C4' energy: -137.173
flat angles C4'-P-C4' energy: -165.906
flat angles P-C4'-P energy: -111.854
tors. eta vs tors. theta energy: -242.065
Dist. restrs. and SS energy: 9.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2663.259688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.259688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.051671 (E_RNA)
where:
Base-Base interactions energy: -1880.082
where: short stacking energy: -758.939
Base-Backbone interact. energy: -3.077
local terms energy: -785.892098
where:
bonds (distance) C4'-P energy: -146.546
bonds (distance) P-C4' energy: -138.138
flat angles C4'-P-C4' energy: -154.946
flat angles P-C4'-P energy: -103.883
tors. eta vs tors. theta energy: -242.379
Dist. restrs. and SS energy: 5.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2605.241279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.241279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.584321 (E_RNA)
where:
Base-Base interactions energy: -1861.814
where: short stacking energy: -738.196
Base-Backbone interact. energy: -0.926
local terms energy: -754.845065
where:
bonds (distance) C4'-P energy: -126.590
bonds (distance) P-C4' energy: -138.586
flat angles C4'-P-C4' energy: -159.642
flat angles P-C4'-P energy: -107.749
tors. eta vs tors. theta energy: -222.279
Dist. restrs. and SS energy: 12.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2437.945802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.945802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.805661 (E_RNA)
where:
Base-Base interactions energy: -1726.340
where: short stacking energy: -697.069
Base-Backbone interact. energy: 1.939
local terms energy: -727.405272
where:
bonds (distance) C4'-P energy: -134.333
bonds (distance) P-C4' energy: -135.927
flat angles C4'-P-C4' energy: -135.353
flat angles P-C4'-P energy: -108.017
tors. eta vs tors. theta energy: -213.775
Dist. restrs. and SS energy: 13.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2423.564358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.564358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.403247 (E_RNA)
where:
Base-Base interactions energy: -1723.257
where: short stacking energy: -704.089
Base-Backbone interact. energy: 3.080
local terms energy: -716.226349
where:
bonds (distance) C4'-P energy: -128.284
bonds (distance) P-C4' energy: -114.365
flat angles C4'-P-C4' energy: -158.100
flat angles P-C4'-P energy: -96.603
tors. eta vs tors. theta energy: -218.874
Dist. restrs. and SS energy: 12.839 (S_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: 377
Temperature: 1.200000
Total energy: -2371.954096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.954096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.587402 (E_RNA)
where:
Base-Base interactions energy: -1678.518
where: short stacking energy: -669.746
Base-Backbone interact. energy: -3.732
local terms energy: -706.337660
where:
bonds (distance) C4'-P energy: -95.339
bonds (distance) P-C4' energy: -138.090
flat angles C4'-P-C4' energy: -150.537
flat angles P-C4'-P energy: -110.093
tors. eta vs tors. theta energy: -212.279
Dist. restrs. and SS energy: 16.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2196.543954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.543954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.265415 (E_RNA)
where:
Base-Base interactions energy: -1580.044
where: short stacking energy: -626.843
Base-Backbone interact. energy: -2.843
local terms energy: -624.378623
where:
bonds (distance) C4'-P energy: -109.742
bonds (distance) P-C4' energy: -100.460
flat angles C4'-P-C4' energy: -138.259
flat angles P-C4'-P energy: -83.645
tors. eta vs tors. theta energy: -192.273
Dist. restrs. and SS energy: 10.721 (S_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: -2155.251761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.251761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.900104 (E_RNA)
where:
Base-Base interactions energy: -1527.133
where: short stacking energy: -636.675
Base-Backbone interact. energy: -2.085
local terms energy: -634.681515
where:
bonds (distance) C4'-P energy: -92.846
bonds (distance) P-C4' energy: -119.026
flat angles C4'-P-C4' energy: -128.404
flat angles P-C4'-P energy: -79.940
tors. eta vs tors. theta energy: -214.465
Dist. restrs. and SS energy: 8.648 (S_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: 377
Temperature: 1.350000
Total energy: -2157.121560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.121560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.996118 (E_RNA)
where:
Base-Base interactions energy: -1539.014
where: short stacking energy: -626.179
Base-Backbone interact. energy: -1.314
local terms energy: -626.668783
where:
bonds (distance) C4'-P energy: -107.501
bonds (distance) P-C4' energy: -113.524
flat angles C4'-P-C4' energy: -127.513
flat angles P-C4'-P energy: -82.684
tors. eta vs tors. theta energy: -195.447
Dist. restrs. and SS energy: 9.875 (S_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: -2795.225211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.225211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.911577 (E_RNA)
where:
Base-Base interactions energy: -1993.731
where: short stacking energy: -816.697
Base-Backbone interact. energy: -0.223
local terms energy: -812.957290
where:
bonds (distance) C4'-P energy: -146.850
bonds (distance) P-C4' energy: -135.329
flat angles C4'-P-C4' energy: -160.058
flat angles P-C4'-P energy: -118.234
tors. eta vs tors. theta energy: -252.487
Dist. restrs. and SS energy: 11.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2707.976885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.976885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.878163 (E_RNA)
where:
Base-Base interactions energy: -1887.423
where: short stacking energy: -788.881
Base-Backbone interact. energy: -2.529
local terms energy: -825.925913
where:
bonds (distance) C4'-P energy: -121.239
bonds (distance) P-C4' energy: -168.008
flat angles C4'-P-C4' energy: -163.883
flat angles P-C4'-P energy: -122.837
tors. eta vs tors. theta energy: -249.959
Dist. restrs. and SS energy: 7.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2638.906611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.906611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.599927 (E_RNA)
where:
Base-Base interactions energy: -1875.918
where: short stacking energy: -771.424
Base-Backbone interact. energy: 0.963
local terms energy: -773.644362
where:
bonds (distance) C4'-P energy: -133.464
bonds (distance) P-C4' energy: -129.655
flat angles C4'-P-C4' energy: -160.608
flat angles P-C4'-P energy: -103.154
tors. eta vs tors. theta energy: -246.765
Dist. restrs. and SS energy: 9.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2572.257444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.257444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.837946 (E_RNA)
where:
Base-Base interactions energy: -1836.913
where: short stacking energy: -746.420
Base-Backbone interact. energy: 0.482
local terms energy: -749.407324
where:
bonds (distance) C4'-P energy: -112.309
bonds (distance) P-C4' energy: -133.703
flat angles C4'-P-C4' energy: -153.644
flat angles P-C4'-P energy: -112.123
tors. eta vs tors. theta energy: -237.629
Dist. restrs. and SS energy: 13.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2479.863402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.863402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.508775 (E_RNA)
where:
Base-Base interactions energy: -1750.202
where: short stacking energy: -717.779
Base-Backbone interact. energy: -0.209
local terms energy: -741.097544
where:
bonds (distance) C4'-P energy: -137.354
bonds (distance) P-C4' energy: -137.735
flat angles C4'-P-C4' energy: -152.864
flat angles P-C4'-P energy: -94.592
tors. eta vs tors. theta energy: -218.552
Dist. restrs. and SS energy: 11.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2417.976397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.976397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.869686 (E_RNA)
where:
Base-Base interactions energy: -1717.438
where: short stacking energy: -673.607
Base-Backbone interact. energy: -1.775
local terms energy: -703.655938
where:
bonds (distance) C4'-P energy: -122.433
bonds (distance) P-C4' energy: -115.148
flat angles C4'-P-C4' energy: -150.821
flat angles P-C4'-P energy: -110.754
tors. eta vs tors. theta energy: -204.500
Dist. restrs. and SS energy: 4.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2402.652895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.652895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.174177 (E_RNA)
where:
Base-Base interactions energy: -1703.743
where: short stacking energy: -684.297
Base-Backbone interact. energy: 5.440
local terms energy: -713.871410
where:
bonds (distance) C4'-P energy: -98.932
bonds (distance) P-C4' energy: -142.583
flat angles C4'-P-C4' energy: -155.582
flat angles P-C4'-P energy: -102.400
tors. eta vs tors. theta energy: -214.375
Dist. restrs. and SS energy: 9.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -2240.045481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.045481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.499980 (E_RNA)
where:
Base-Base interactions energy: -1573.850
where: short stacking energy: -639.575
Base-Backbone interact. energy: -1.814
local terms energy: -682.835886
where:
bonds (distance) C4'-P energy: -103.318
bonds (distance) P-C4' energy: -127.767
flat angles C4'-P-C4' energy: -153.899
flat angles P-C4'-P energy: -97.550
tors. eta vs tors. theta energy: -200.301
Dist. restrs. and SS energy: 18.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -2176.701887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.701887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.539533 (E_RNA)
where:
Base-Base interactions energy: -1573.692
where: short stacking energy: -617.984
Base-Backbone interact. energy: 3.740
local terms energy: -613.586943
where:
bonds (distance) C4'-P energy: -106.943
bonds (distance) P-C4' energy: -105.119
flat angles C4'-P-C4' energy: -128.122
flat angles P-C4'-P energy: -85.643
tors. eta vs tors. theta energy: -187.760
Dist. restrs. and SS energy: 6.838 (S_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: 378
Temperature: 1.350000
Total energy: -2119.157132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.157132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.714926 (E_RNA)
where:
Base-Base interactions energy: -1479.122
where: short stacking energy: -586.699
Base-Backbone interact. energy: -2.259
local terms energy: -649.334068
where:
bonds (distance) C4'-P energy: -128.599
bonds (distance) P-C4' energy: -104.388
flat angles C4'-P-C4' energy: -141.399
flat angles P-C4'-P energy: -84.013
tors. eta vs tors. theta energy: -190.936
Dist. restrs. and SS energy: 11.558 (S_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: -2779.005208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.005208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.980381 (E_RNA)
where:
Base-Base interactions energy: -1949.346
where: short stacking energy: -766.624
Base-Backbone interact. energy: -2.198
local terms energy: -835.436568
where:
bonds (distance) C4'-P energy: -148.762
bonds (distance) P-C4' energy: -150.042
flat angles C4'-P-C4' energy: -169.041
flat angles P-C4'-P energy: -121.727
tors. eta vs tors. theta energy: -245.864
Dist. restrs. and SS energy: 7.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2694.180873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.180873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.023637 (E_RNA)
where:
Base-Base interactions energy: -1934.851
where: short stacking energy: -804.658
Base-Backbone interact. energy: -2.017
local terms energy: -769.155508
where:
bonds (distance) C4'-P energy: -113.947
bonds (distance) P-C4' energy: -133.835
flat angles C4'-P-C4' energy: -155.565
flat angles P-C4'-P energy: -117.295
tors. eta vs tors. theta energy: -248.513
Dist. restrs. and SS energy: 11.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2667.312145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.312145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.724136 (E_RNA)
where:
Base-Base interactions energy: -1888.199
where: short stacking energy: -784.746
Base-Backbone interact. energy: -1.671
local terms energy: -785.854890
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -128.427
flat angles C4'-P-C4' energy: -161.901
flat angles P-C4'-P energy: -112.397
tors. eta vs tors. theta energy: -249.270
Dist. restrs. and SS energy: 8.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2556.643072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.643072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.714000 (E_RNA)
where:
Base-Base interactions energy: -1822.380
where: short stacking energy: -720.891
Base-Backbone interact. energy: 0.242
local terms energy: -745.575873
where:
bonds (distance) C4'-P energy: -120.763
bonds (distance) P-C4' energy: -137.917
flat angles C4'-P-C4' energy: -159.743
flat angles P-C4'-P energy: -102.914
tors. eta vs tors. theta energy: -224.240
Dist. restrs. and SS energy: 11.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2447.119742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.119742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.559118 (E_RNA)
where:
Base-Base interactions energy: -1740.753
where: short stacking energy: -715.031
Base-Backbone interact. energy: -2.106
local terms energy: -716.700622
where:
bonds (distance) C4'-P energy: -126.295
bonds (distance) P-C4' energy: -126.550
flat angles C4'-P-C4' energy: -146.422
flat angles P-C4'-P energy: -95.046
tors. eta vs tors. theta energy: -222.387
Dist. restrs. and SS energy: 12.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2390.461608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.461608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.268592 (E_RNA)
where:
Base-Base interactions energy: -1704.281
where: short stacking energy: -671.495
Base-Backbone interact. energy: -2.200
local terms energy: -688.787110
where:
bonds (distance) C4'-P energy: -102.467
bonds (distance) P-C4' energy: -134.745
flat angles C4'-P-C4' energy: -143.869
flat angles P-C4'-P energy: -95.969
tors. eta vs tors. theta energy: -211.737
Dist. restrs. and SS energy: 4.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2335.325409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.325409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.510003 (E_RNA)
where:
Base-Base interactions energy: -1652.113
where: short stacking energy: -651.520
Base-Backbone interact. energy: -2.441
local terms energy: -689.956099
where:
bonds (distance) C4'-P energy: -122.174
bonds (distance) P-C4' energy: -124.064
flat angles C4'-P-C4' energy: -141.622
flat angles P-C4'-P energy: -85.765
tors. eta vs tors. theta energy: -216.331
Dist. restrs. and SS energy: 9.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2277.938946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.938946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.621030 (E_RNA)
where:
Base-Base interactions energy: -1634.694
where: short stacking energy: -676.645
Base-Backbone interact. energy: -1.627
local terms energy: -656.300381
where:
bonds (distance) C4'-P energy: -115.590
bonds (distance) P-C4' energy: -101.340
flat angles C4'-P-C4' energy: -139.597
flat angles P-C4'-P energy: -88.379
tors. eta vs tors. theta energy: -211.394
Dist. restrs. and SS energy: 14.682 (S_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: 379
Temperature: 1.300000
Total energy: -2148.427151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.427151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.805082 (E_RNA)
where:
Base-Base interactions energy: -1552.026
where: short stacking energy: -621.188
Base-Backbone interact. energy: 2.032
local terms energy: -605.811432
where:
bonds (distance) C4'-P energy: -92.385
bonds (distance) P-C4' energy: -113.639
flat angles C4'-P-C4' energy: -143.583
flat angles P-C4'-P energy: -77.929
tors. eta vs tors. theta energy: -178.275
Dist. restrs. and SS energy: 7.378 (S_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: 379
Temperature: 1.350000
Total energy: -2100.925614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.925614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.709807 (E_RNA)
where:
Base-Base interactions energy: -1502.452
where: short stacking energy: -587.238
Base-Backbone interact. energy: -1.070
local terms energy: -610.188150
where:
bonds (distance) C4'-P energy: -111.306
bonds (distance) P-C4' energy: -110.641
flat angles C4'-P-C4' energy: -128.775
flat angles P-C4'-P energy: -68.265
tors. eta vs tors. theta energy: -191.201
Dist. restrs. and SS energy: 12.784 (S_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: -2794.332458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.332458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.563060 (E_RNA)
where:
Base-Base interactions energy: -2004.433
where: short stacking energy: -820.528
Base-Backbone interact. energy: -4.150
local terms energy: -795.980411
where:
bonds (distance) C4'-P energy: -140.815
bonds (distance) P-C4' energy: -128.311
flat angles C4'-P-C4' energy: -173.943
flat angles P-C4'-P energy: -112.991
tors. eta vs tors. theta energy: -239.921
Dist. restrs. and SS energy: 10.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2712.850802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.850802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.851086 (E_RNA)
where:
Base-Base interactions energy: -1914.445
where: short stacking energy: -807.703
Base-Backbone interact. energy: 1.462
local terms energy: -806.867975
where:
bonds (distance) C4'-P energy: -154.927
bonds (distance) P-C4' energy: -137.019
flat angles C4'-P-C4' energy: -153.634
flat angles P-C4'-P energy: -117.153
tors. eta vs tors. theta energy: -244.134
Dist. restrs. and SS energy: 7.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2656.303958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.303958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.973879 (E_RNA)
where:
Base-Base interactions energy: -1891.968
where: short stacking energy: -776.102
Base-Backbone interact. energy: 0.434
local terms energy: -774.439448
where:
bonds (distance) C4'-P energy: -129.470
bonds (distance) P-C4' energy: -122.564
flat angles C4'-P-C4' energy: -159.424
flat angles P-C4'-P energy: -121.316
tors. eta vs tors. theta energy: -241.666
Dist. restrs. and SS energy: 9.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2522.705235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.705235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.551364 (E_RNA)
where:
Base-Base interactions energy: -1778.165
where: short stacking energy: -706.832
Base-Backbone interact. energy: -2.196
local terms energy: -754.190901
where:
bonds (distance) C4'-P energy: -138.543
bonds (distance) P-C4' energy: -125.660
flat angles C4'-P-C4' energy: -166.469
flat angles P-C4'-P energy: -101.513
tors. eta vs tors. theta energy: -222.006
Dist. restrs. and SS energy: 11.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2458.530791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.530791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.892724 (E_RNA)
where:
Base-Base interactions energy: -1744.673
where: short stacking energy: -731.408
Base-Backbone interact. energy: -2.064
local terms energy: -723.156176
where:
bonds (distance) C4'-P energy: -124.527
bonds (distance) P-C4' energy: -130.645
flat angles C4'-P-C4' energy: -140.108
flat angles P-C4'-P energy: -95.798
tors. eta vs tors. theta energy: -232.078
Dist. restrs. and SS energy: 11.362 (S_DIST_RNA)
chem. 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: -2426.622905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.622905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.179849 (E_RNA)
where:
Base-Base interactions energy: -1730.430
where: short stacking energy: -685.974
Base-Backbone interact. energy: -1.349
local terms energy: -700.400629
where:
bonds (distance) C4'-P energy: -124.883
bonds (distance) P-C4' energy: -127.549
flat angles C4'-P-C4' energy: -147.774
flat angles P-C4'-P energy: -98.430
tors. eta vs tors. theta energy: -201.764
Dist. restrs. and SS energy: 5.557 (S_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: 380
Temperature: 1.200000
Total energy: -2348.438176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.438176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.375054 (E_RNA)
where:
Base-Base interactions energy: -1672.420
where: short stacking energy: -670.529
Base-Backbone interact. energy: 3.403
local terms energy: -690.358444
where:
bonds (distance) C4'-P energy: -115.439
bonds (distance) P-C4' energy: -120.296
flat angles C4'-P-C4' energy: -152.069
flat angles P-C4'-P energy: -90.838
tors. eta vs tors. theta energy: -211.716
Dist. restrs. and SS energy: 10.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2254.152366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.152366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.471015 (E_RNA)
where:
Base-Base interactions energy: -1593.517
where: short stacking energy: -638.087
Base-Backbone interact. energy: 0.543
local terms energy: -673.497516
where:
bonds (distance) C4'-P energy: -114.173
bonds (distance) P-C4' energy: -113.791
flat angles C4'-P-C4' energy: -155.431
flat angles P-C4'-P energy: -86.834
tors. eta vs tors. theta energy: -203.268
Dist. restrs. and SS energy: 12.319 (S_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: 380
Temperature: 1.300000
Total energy: -2182.292405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.292405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.022752 (E_RNA)
where:
Base-Base interactions energy: -1575.112
where: short stacking energy: -648.529
Base-Backbone interact. energy: -0.695
local terms energy: -619.215314
where:
bonds (distance) C4'-P energy: -112.159
bonds (distance) P-C4' energy: -108.646
flat angles C4'-P-C4' energy: -130.756
flat angles P-C4'-P energy: -70.093
tors. eta vs tors. theta energy: -197.561
Dist. restrs. and SS energy: 12.730 (S_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: -2098.743789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.743789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.725679 (E_RNA)
where:
Base-Base interactions energy: -1492.988
where: short stacking energy: -581.046
Base-Backbone interact. energy: 0.163
local terms energy: -615.900677
where:
bonds (distance) C4'-P energy: -101.051
bonds (distance) P-C4' energy: -113.735
flat angles C4'-P-C4' energy: -133.045
flat angles P-C4'-P energy: -71.465
tors. eta vs tors. theta energy: -196.604
Dist. restrs. and SS energy: 9.982 (S_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: -2807.805991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.805991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.361069 (E_RNA)
where:
Base-Base interactions energy: -2002.956
where: short stacking energy: -803.371
Base-Backbone interact. energy: -0.383
local terms energy: -811.022584
where:
bonds (distance) C4'-P energy: -129.995
bonds (distance) P-C4' energy: -139.667
flat angles C4'-P-C4' energy: -175.144
flat angles P-C4'-P energy: -117.902
tors. eta vs tors. theta energy: -248.315
Dist. restrs. and SS energy: 6.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2682.479597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.479597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.261171 (E_RNA)
where:
Base-Base interactions energy: -1901.395
where: short stacking energy: -778.944
Base-Backbone interact. energy: -2.613
local terms energy: -789.252746
where:
bonds (distance) C4'-P energy: -142.945
bonds (distance) P-C4' energy: -123.924
flat angles C4'-P-C4' energy: -153.858
flat angles P-C4'-P energy: -113.338
tors. eta vs tors. theta energy: -255.188
Dist. restrs. and SS energy: 10.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2649.440416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.440416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.358104 (E_RNA)
where:
Base-Base interactions energy: -1884.801
where: short stacking energy: -769.290
Base-Backbone interact. energy: -3.193
local terms energy: -770.364821
where:
bonds (distance) C4'-P energy: -122.560
bonds (distance) P-C4' energy: -125.129
flat angles C4'-P-C4' energy: -159.004
flat angles P-C4'-P energy: -116.669
tors. eta vs tors. theta energy: -247.003
Dist. restrs. and SS energy: 8.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2491.970173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.970173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.446905 (E_RNA)
where:
Base-Base interactions energy: -1790.821
where: short stacking energy: -725.774
Base-Backbone interact. energy: -2.230
local terms energy: -712.396295
where:
bonds (distance) C4'-P energy: -132.603
bonds (distance) P-C4' energy: -109.865
flat angles C4'-P-C4' energy: -152.300
flat angles P-C4'-P energy: -97.093
tors. eta vs tors. theta energy: -220.535
Dist. restrs. and SS energy: 13.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2475.330687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.330687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.194551 (E_RNA)
where:
Base-Base interactions energy: -1770.330
where: short stacking energy: -723.538
Base-Backbone interact. energy: 1.218
local terms energy: -717.083417
where:
bonds (distance) C4'-P energy: -115.558
bonds (distance) P-C4' energy: -119.258
flat angles C4'-P-C4' energy: -148.021
flat angles P-C4'-P energy: -99.119
tors. eta vs tors. theta energy: -235.128
Dist. restrs. and SS energy: 10.864 (S_DIST_RNA)
chem. 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: -2400.989798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.989798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.364737 (E_RNA)
where:
Base-Base interactions energy: -1713.343
where: short stacking energy: -692.712
Base-Backbone interact. energy: 0.291
local terms energy: -692.313257
where:
bonds (distance) C4'-P energy: -106.774
bonds (distance) P-C4' energy: -125.081
flat angles C4'-P-C4' energy: -143.564
flat angles P-C4'-P energy: -103.495
tors. eta vs tors. theta energy: -213.400
Dist. restrs. and SS energy: 4.375 (S_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: 381
Temperature: 1.200000
Total energy: -2363.366432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.366432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.620348 (E_RNA)
where:
Base-Base interactions energy: -1692.073
where: short stacking energy: -684.965
Base-Backbone interact. energy: -2.673
local terms energy: -674.874433
where:
bonds (distance) C4'-P energy: -97.326
bonds (distance) P-C4' energy: -117.633
flat angles C4'-P-C4' energy: -150.385
flat angles P-C4'-P energy: -100.555
tors. eta vs tors. theta energy: -208.975
Dist. restrs. and SS energy: 6.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2238.028912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.028912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.327988 (E_RNA)
where:
Base-Base interactions energy: -1611.400
where: short stacking energy: -639.150
Base-Backbone interact. energy: -3.473
local terms energy: -631.454584
where:
bonds (distance) C4'-P energy: -107.602
bonds (distance) P-C4' energy: -115.936
flat angles C4'-P-C4' energy: -125.259
flat angles P-C4'-P energy: -96.153
tors. eta vs tors. theta energy: -186.505
Dist. restrs. and SS energy: 8.299 (S_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: 381
Temperature: 1.300000
Total energy: -2186.366949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.366949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.605132 (E_RNA)
where:
Base-Base interactions energy: -1568.542
where: short stacking energy: -616.979
Base-Backbone interact. energy: -1.159
local terms energy: -628.904375
where:
bonds (distance) C4'-P energy: -85.980
bonds (distance) P-C4' energy: -115.293
flat angles C4'-P-C4' energy: -137.417
flat angles P-C4'-P energy: -96.779
tors. eta vs tors. theta energy: -193.435
Dist. restrs. and SS energy: 12.238 (S_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: -2091.567601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.567601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.039232 (E_RNA)
where:
Base-Base interactions energy: -1511.459
where: short stacking energy: -622.174
Base-Backbone interact. energy: 6.651
local terms energy: -598.231106
where:
bonds (distance) C4'-P energy: -110.069
bonds (distance) P-C4' energy: -98.353
flat angles C4'-P-C4' energy: -114.572
flat angles P-C4'-P energy: -91.310
tors. eta vs tors. theta energy: -183.928
Dist. restrs. and SS energy: 11.472 (S_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: 382
Temperature: 0.900000
Total energy: -2831.737022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.737022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.024498 (E_RNA)
where:
Base-Base interactions energy: -1994.589
where: short stacking energy: -797.836
Base-Backbone interact. energy: -1.941
local terms energy: -842.495289
where:
bonds (distance) C4'-P energy: -147.225
bonds (distance) P-C4' energy: -143.556
flat angles C4'-P-C4' energy: -171.427
flat angles P-C4'-P energy: -130.758
tors. eta vs tors. theta energy: -249.530
Dist. restrs. and SS energy: 7.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2668.097278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.097278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.876826 (E_RNA)
where:
Base-Base interactions energy: -1885.902
where: short stacking energy: -766.311
Base-Backbone interact. energy: -3.953
local terms energy: -785.021632
where:
bonds (distance) C4'-P energy: -116.804
bonds (distance) P-C4' energy: -146.553
flat angles C4'-P-C4' energy: -174.665
flat angles P-C4'-P energy: -118.716
tors. eta vs tors. theta energy: -228.283
Dist. restrs. and SS energy: 6.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2660.803145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.803145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.739093 (E_RNA)
where:
Base-Base interactions energy: -1907.165
where: short stacking energy: -797.813
Base-Backbone interact. energy: -0.200
local terms energy: -762.374464
where:
bonds (distance) C4'-P energy: -133.241
bonds (distance) P-C4' energy: -124.515
flat angles C4'-P-C4' energy: -154.635
flat angles P-C4'-P energy: -101.327
tors. eta vs tors. theta energy: -248.657
Dist. restrs. and SS energy: 8.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2508.625739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.625739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.228851 (E_RNA)
where:
Base-Base interactions energy: -1779.281
where: short stacking energy: -719.020
Base-Backbone interact. energy: 2.633
local terms energy: -741.580556
where:
bonds (distance) C4'-P energy: -131.219
bonds (distance) P-C4' energy: -116.498
flat angles C4'-P-C4' energy: -161.688
flat angles P-C4'-P energy: -112.795
tors. eta vs tors. theta energy: -219.380
Dist. restrs. and SS energy: 9.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2473.532377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.532377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.437681 (E_RNA)
where:
Base-Base interactions energy: -1762.625
where: short stacking energy: -717.503
Base-Backbone interact. energy: -1.122
local terms energy: -719.690835
where:
bonds (distance) C4'-P energy: -127.549
bonds (distance) P-C4' energy: -116.418
flat angles C4'-P-C4' energy: -158.111
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -226.982
Dist. restrs. and SS energy: 9.905 (S_DIST_RNA)
chem. 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: -2393.766213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.766213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.568822 (E_RNA)
where:
Base-Base interactions energy: -1677.482
where: short stacking energy: -698.163
Base-Backbone interact. energy: -1.685
local terms energy: -722.401325
where:
bonds (distance) C4'-P energy: -130.586
bonds (distance) P-C4' energy: -127.976
flat angles C4'-P-C4' energy: -140.517
flat angles P-C4'-P energy: -104.893
tors. eta vs tors. theta energy: -218.429
Dist. restrs. and SS energy: 7.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2300.521030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.521030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.724357 (E_RNA)
where:
Base-Base interactions energy: -1641.797
where: short stacking energy: -655.841
Base-Backbone interact. energy: -1.718
local terms energy: -669.209649
where:
bonds (distance) C4'-P energy: -117.461
bonds (distance) P-C4' energy: -106.731
flat angles C4'-P-C4' energy: -145.353
flat angles P-C4'-P energy: -94.690
tors. eta vs tors. theta energy: -204.975
Dist. restrs. and SS energy: 12.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2211.986743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.986743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.069249 (E_RNA)
where:
Base-Base interactions energy: -1600.112
where: short stacking energy: -651.753
Base-Backbone interact. energy: -0.342
local terms energy: -621.614397
where:
bonds (distance) C4'-P energy: -102.933
bonds (distance) P-C4' energy: -103.139
flat angles C4'-P-C4' energy: -134.323
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: -206.351
Dist. restrs. and SS energy: 10.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -2154.648963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.648963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.850934 (E_RNA)
where:
Base-Base interactions energy: -1533.759
where: short stacking energy: -617.245
Base-Backbone interact. energy: -3.532
local terms energy: -629.560526
where:
bonds (distance) C4'-P energy: -114.146
bonds (distance) P-C4' energy: -107.503
flat angles C4'-P-C4' energy: -135.089
flat angles P-C4'-P energy: -84.247
tors. eta vs tors. theta energy: -188.575
Dist. restrs. and SS energy: 12.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -2088.585062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.585062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.996073 (E_RNA)
where:
Base-Base interactions energy: -1510.287
where: short stacking energy: -606.750
Base-Backbone interact. energy: -1.292
local terms energy: -595.416670
where:
bonds (distance) C4'-P energy: -99.272
bonds (distance) P-C4' energy: -99.486
flat angles C4'-P-C4' energy: -132.211
flat angles P-C4'-P energy: -78.687
tors. eta vs tors. theta energy: -185.761
Dist. restrs. and SS energy: 18.411 (S_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: 383
Temperature: 0.900000
Total energy: -2822.260960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.260960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.763768 (E_RNA)
where:
Base-Base interactions energy: -2005.916
where: short stacking energy: -822.877
Base-Backbone interact. energy: -2.905
local terms energy: -822.942520
where:
bonds (distance) C4'-P energy: -138.716
bonds (distance) P-C4' energy: -143.310
flat angles C4'-P-C4' energy: -162.626
flat angles P-C4'-P energy: -121.478
tors. eta vs tors. theta energy: -256.814
Dist. restrs. and SS energy: 9.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2662.768614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.768614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.561939 (E_RNA)
where:
Base-Base interactions energy: -1879.017
where: short stacking energy: -775.217
Base-Backbone interact. energy: 0.646
local terms energy: -792.190510
where:
bonds (distance) C4'-P energy: -137.329
bonds (distance) P-C4' energy: -147.276
flat angles C4'-P-C4' energy: -150.334
flat angles P-C4'-P energy: -117.131
tors. eta vs tors. theta energy: -240.119
Dist. restrs. and SS energy: 7.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2643.425023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.425023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.993979 (E_RNA)
where:
Base-Base interactions energy: -1895.152
where: short stacking energy: -791.676
Base-Backbone interact. energy: -2.033
local terms energy: -754.808786
where:
bonds (distance) C4'-P energy: -126.651
bonds (distance) P-C4' energy: -115.317
flat angles C4'-P-C4' energy: -162.600
flat angles P-C4'-P energy: -110.325
tors. eta vs tors. theta energy: -239.916
Dist. restrs. and SS energy: 8.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2498.272829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.272829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.203971 (E_RNA)
where:
Base-Base interactions energy: -1756.984
where: short stacking energy: -728.454
Base-Backbone interact. energy: 3.473
local terms energy: -751.692422
where:
bonds (distance) C4'-P energy: -126.966
bonds (distance) P-C4' energy: -144.778
flat angles C4'-P-C4' energy: -153.292
flat angles P-C4'-P energy: -98.877
tors. eta vs tors. theta energy: -227.779
Dist. restrs. and SS energy: 6.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2487.738850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.738850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.361070 (E_RNA)
where:
Base-Base interactions energy: -1797.224
where: short stacking energy: -716.231
Base-Backbone interact. energy: 3.524
local terms energy: -708.661041
where:
bonds (distance) C4'-P energy: -127.492
bonds (distance) P-C4' energy: -135.761
flat angles C4'-P-C4' energy: -140.788
flat angles P-C4'-P energy: -85.715
tors. eta vs tors. theta energy: -218.905
Dist. restrs. and SS energy: 14.622 (S_DIST_RNA)
chem. 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: -2372.278883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.278883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.882774 (E_RNA)
where:
Base-Base interactions energy: -1669.790
where: short stacking energy: -680.314
Base-Backbone interact. energy: 1.279
local terms energy: -712.371329
where:
bonds (distance) C4'-P energy: -111.153
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -141.412
flat angles P-C4'-P energy: -104.031
tors. eta vs tors. theta energy: -221.404
Dist. restrs. and SS energy: 8.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2294.459341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.459341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.504344 (E_RNA)
where:
Base-Base interactions energy: -1631.820
where: short stacking energy: -657.332
Base-Backbone interact. energy: -3.178
local terms energy: -665.506343
where:
bonds (distance) C4'-P energy: -131.891
bonds (distance) P-C4' energy: -113.709
flat angles C4'-P-C4' energy: -139.071
flat angles P-C4'-P energy: -78.864
tors. eta vs tors. theta energy: -201.972
Dist. restrs. and SS energy: 6.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2246.676348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.676348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.512272 (E_RNA)
where:
Base-Base interactions energy: -1607.196
where: short stacking energy: -651.043
Base-Backbone interact. energy: -3.389
local terms energy: -653.927927
where:
bonds (distance) C4'-P energy: -105.615
bonds (distance) P-C4' energy: -123.006
flat angles C4'-P-C4' energy: -154.227
flat angles P-C4'-P energy: -82.466
tors. eta vs tors. theta energy: -188.614
Dist. restrs. and SS energy: 17.836 (S_DIST_RNA)
chem. 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: -2194.366781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.366781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.612168 (E_RNA)
where:
Base-Base interactions energy: -1587.025
where: short stacking energy: -630.461
Base-Backbone interact. energy: -4.556
local terms energy: -611.030812
where:
bonds (distance) C4'-P energy: -95.437
bonds (distance) P-C4' energy: -108.111
flat angles C4'-P-C4' energy: -136.014
flat angles P-C4'-P energy: -96.856
tors. eta vs tors. theta energy: -174.613
Dist. restrs. and SS energy: 8.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -2044.442099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.442099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.196238 (E_RNA)
where:
Base-Base interactions energy: -1451.013
where: short stacking energy: -573.304
Base-Backbone interact. energy: -0.056
local terms energy: -609.127190
where:
bonds (distance) C4'-P energy: -118.123
bonds (distance) P-C4' energy: -105.079
flat angles C4'-P-C4' energy: -131.013
flat angles P-C4'-P energy: -76.880
tors. eta vs tors. theta energy: -178.033
Dist. restrs. and SS energy: 15.754 (S_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: 384
Temperature: 0.900000
Total energy: -2801.989445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.989445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.466399 (E_RNA)
where:
Base-Base interactions energy: -1993.553
where: short stacking energy: -811.344
Base-Backbone interact. energy: -2.611
local terms energy: -813.302394
where:
bonds (distance) C4'-P energy: -126.781
bonds (distance) P-C4' energy: -157.134
flat angles C4'-P-C4' energy: -156.641
flat angles P-C4'-P energy: -123.287
tors. eta vs tors. theta energy: -249.459
Dist. restrs. and SS energy: 7.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2675.805576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.805576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.170903 (E_RNA)
where:
Base-Base interactions energy: -1866.671
where: short stacking energy: -782.951
Base-Backbone interact. energy: -2.697
local terms energy: -817.802711
where:
bonds (distance) C4'-P energy: -149.889
bonds (distance) P-C4' energy: -133.041
flat angles C4'-P-C4' energy: -165.700
flat angles P-C4'-P energy: -124.380
tors. eta vs tors. theta energy: -244.792
Dist. restrs. and SS energy: 11.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2628.580367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.580367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.762547 (E_RNA)
where:
Base-Base interactions energy: -1855.787
where: short stacking energy: -757.060
Base-Backbone interact. energy: -4.304
local terms energy: -777.671946
where:
bonds (distance) C4'-P energy: -138.097
bonds (distance) P-C4' energy: -134.097
flat angles C4'-P-C4' energy: -157.041
flat angles P-C4'-P energy: -112.886
tors. eta vs tors. theta energy: -235.551
Dist. restrs. and SS energy: 9.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2491.494706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.494706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.265454 (E_RNA)
where:
Base-Base interactions energy: -1765.407
where: short stacking energy: -690.068
Base-Backbone interact. energy: -2.989
local terms energy: -726.869513
where:
bonds (distance) C4'-P energy: -130.906
bonds (distance) P-C4' energy: -117.943
flat angles C4'-P-C4' energy: -141.891
flat angles P-C4'-P energy: -114.401
tors. eta vs tors. theta energy: -221.728
Dist. restrs. and SS energy: 3.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2476.514625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.514625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.182477 (E_RNA)
where:
Base-Base interactions energy: -1775.460
where: short stacking energy: -704.512
Base-Backbone interact. energy: -0.443
local terms energy: -712.280109
where:
bonds (distance) C4'-P energy: -130.473
bonds (distance) P-C4' energy: -116.407
flat angles C4'-P-C4' energy: -142.241
flat angles P-C4'-P energy: -99.879
tors. eta vs tors. theta energy: -223.280
Dist. restrs. and SS energy: 11.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2368.079433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.079433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.576693 (E_RNA)
where:
Base-Base interactions energy: -1694.577
where: short stacking energy: -675.873
Base-Backbone interact. energy: -1.189
local terms energy: -681.810417
where:
bonds (distance) C4'-P energy: -112.862
bonds (distance) P-C4' energy: -106.682
flat angles C4'-P-C4' energy: -151.529
flat angles P-C4'-P energy: -102.957
tors. eta vs tors. theta energy: -207.780
Dist. restrs. and SS energy: 9.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2315.180338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.180338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.836158 (E_RNA)
where:
Base-Base interactions energy: -1635.415
where: short stacking energy: -678.469
Base-Backbone interact. energy: -1.712
local terms energy: -683.708679
where:
bonds (distance) C4'-P energy: -117.243
bonds (distance) P-C4' energy: -111.999
flat angles C4'-P-C4' energy: -146.013
flat angles P-C4'-P energy: -99.683
tors. eta vs tors. theta energy: -208.771
Dist. restrs. and SS energy: 5.656 (S_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: 384
Temperature: 1.250000
Total energy: -2254.529897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.529897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.055827 (E_RNA)
where:
Base-Base interactions energy: -1617.902
where: short stacking energy: -642.287
Base-Backbone interact. energy: -3.159
local terms energy: -637.995048
where:
bonds (distance) C4'-P energy: -99.955
bonds (distance) P-C4' energy: -122.689
flat angles C4'-P-C4' energy: -124.936
flat angles P-C4'-P energy: -103.788
tors. eta vs tors. theta energy: -186.627
Dist. restrs. and SS energy: 4.526 (S_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: -2153.875427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.875427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.543747 (E_RNA)
where:
Base-Base interactions energy: -1529.155
where: short stacking energy: -622.313
Base-Backbone interact. energy: -1.502
local terms energy: -636.886618
where:
bonds (distance) C4'-P energy: -114.556
bonds (distance) P-C4' energy: -113.455
flat angles C4'-P-C4' energy: -127.143
flat angles P-C4'-P energy: -89.399
tors. eta vs tors. theta energy: -192.334
Dist. restrs. and SS energy: 13.668 (S_DIST_RNA)
chem. 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: -2122.222717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.222717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.066156 (E_RNA)
where:
Base-Base interactions energy: -1541.201
where: short stacking energy: -599.538
Base-Backbone interact. energy: -0.184
local terms energy: -590.680598
where:
bonds (distance) C4'-P energy: -103.157
bonds (distance) P-C4' energy: -99.335
flat angles C4'-P-C4' energy: -133.153
flat angles P-C4'-P energy: -72.516
tors. eta vs tors. theta energy: -182.519
Dist. restrs. and SS energy: 9.843 (S_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: 385
Temperature: 0.900000
Total energy: -2787.048930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.048930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.674605 (E_RNA)
where:
Base-Base interactions energy: -1999.580
where: short stacking energy: -798.535
Base-Backbone interact. energy: -2.022
local terms energy: -792.073148
where:
bonds (distance) C4'-P energy: -136.227
bonds (distance) P-C4' energy: -132.669
flat angles C4'-P-C4' energy: -165.041
flat angles P-C4'-P energy: -109.533
tors. eta vs tors. theta energy: -248.603
Dist. restrs. and SS energy: 6.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2685.160815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.160815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.929945 (E_RNA)
where:
Base-Base interactions energy: -1895.929
where: short stacking energy: -767.759
Base-Backbone interact. energy: -3.289
local terms energy: -795.711949
where:
bonds (distance) C4'-P energy: -133.553
bonds (distance) P-C4' energy: -143.769
flat angles C4'-P-C4' energy: -162.688
flat angles P-C4'-P energy: -116.006
tors. eta vs tors. theta energy: -239.695
Dist. restrs. and SS energy: 9.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2636.678500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.678500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.427243 (E_RNA)
where:
Base-Base interactions energy: -1876.091
where: short stacking energy: -783.671
Base-Backbone interact. energy: 0.479
local terms energy: -764.814450
where:
bonds (distance) C4'-P energy: -136.830
bonds (distance) P-C4' energy: -124.581
flat angles C4'-P-C4' energy: -153.097
flat angles P-C4'-P energy: -104.564
tors. eta vs tors. theta energy: -245.742
Dist. restrs. and SS energy: 3.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2496.341914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.341914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.185770 (E_RNA)
where:
Base-Base interactions energy: -1795.975
where: short stacking energy: -739.776
Base-Backbone interact. energy: -1.993
local terms energy: -705.218434
where:
bonds (distance) C4'-P energy: -127.068
bonds (distance) P-C4' energy: -129.198
flat angles C4'-P-C4' energy: -145.693
flat angles P-C4'-P energy: -78.360
tors. eta vs tors. theta energy: -224.899
Dist. restrs. and SS energy: 6.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2490.737870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.737870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.952279 (E_RNA)
where:
Base-Base interactions energy: -1772.698
where: short stacking energy: -736.349
Base-Backbone interact. energy: -2.139
local terms energy: -720.115113
where:
bonds (distance) C4'-P energy: -115.125
bonds (distance) P-C4' energy: -120.122
flat angles C4'-P-C4' energy: -156.813
flat angles P-C4'-P energy: -102.692
tors. eta vs tors. theta energy: -225.363
Dist. restrs. and SS energy: 4.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2358.599343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.599343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.398418 (E_RNA)
where:
Base-Base interactions energy: -1663.148
where: short stacking energy: -673.998
Base-Backbone interact. energy: -0.237
local terms energy: -711.013550
where:
bonds (distance) C4'-P energy: -123.108
bonds (distance) P-C4' energy: -119.486
flat angles C4'-P-C4' energy: -150.900
flat angles P-C4'-P energy: -101.587
tors. eta vs tors. theta energy: -215.933
Dist. restrs. and SS energy: 15.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2345.395624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.395624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.779314 (E_RNA)
where:
Base-Base interactions energy: -1689.225
where: short stacking energy: -678.213
Base-Backbone interact. energy: -1.345
local terms energy: -660.209488
where:
bonds (distance) C4'-P energy: -114.855
bonds (distance) P-C4' energy: -106.071
flat angles C4'-P-C4' energy: -128.694
flat angles P-C4'-P energy: -99.685
tors. eta vs tors. theta energy: -210.904
Dist. restrs. and SS energy: 5.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2205.357747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.357747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.470762 (E_RNA)
where:
Base-Base interactions energy: -1560.009
where: short stacking energy: -620.196
Base-Backbone interact. energy: 5.044
local terms energy: -657.505372
where:
bonds (distance) C4'-P energy: -102.318
bonds (distance) P-C4' energy: -107.663
flat angles C4'-P-C4' energy: -141.659
flat angles P-C4'-P energy: -107.007
tors. eta vs tors. theta energy: -198.860
Dist. restrs. and SS energy: 7.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -2137.540181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.540181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.873281 (E_RNA)
where:
Base-Base interactions energy: -1506.955
where: short stacking energy: -614.780
Base-Backbone interact. energy: -1.460
local terms energy: -636.458031
where:
bonds (distance) C4'-P energy: -111.515
bonds (distance) P-C4' energy: -110.287
flat angles C4'-P-C4' energy: -137.750
flat angles P-C4'-P energy: -91.400
tors. eta vs tors. theta energy: -185.505
Dist. restrs. and SS energy: 7.333 (S_DIST_RNA)
chem. 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: -2098.380883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.380883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.846011 (E_RNA)
where:
Base-Base interactions energy: -1523.341
where: short stacking energy: -603.934
Base-Backbone interact. energy: 5.290
local terms energy: -586.794099
where:
bonds (distance) C4'-P energy: -107.348
bonds (distance) P-C4' energy: -114.063
flat angles C4'-P-C4' energy: -113.438
flat angles P-C4'-P energy: -81.562
tors. eta vs tors. theta energy: -170.382
Dist. restrs. and SS energy: 6.465 (S_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: 386
Temperature: 0.900000
Total energy: -2803.464172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.464172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.525388 (E_RNA)
where:
Base-Base interactions energy: -1990.658
where: short stacking energy: -817.597
Base-Backbone interact. energy: -1.333
local terms energy: -817.534722
where:
bonds (distance) C4'-P energy: -151.700
bonds (distance) P-C4' energy: -138.999
flat angles C4'-P-C4' energy: -159.760
flat angles P-C4'-P energy: -116.599
tors. eta vs tors. theta energy: -250.476
Dist. restrs. and SS energy: 6.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2698.794531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.794531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.868614 (E_RNA)
where:
Base-Base interactions energy: -1919.852
where: short stacking energy: -770.179
Base-Backbone interact. energy: 3.100
local terms energy: -790.115794
where:
bonds (distance) C4'-P energy: -129.390
bonds (distance) P-C4' energy: -142.724
flat angles C4'-P-C4' energy: -172.552
flat angles P-C4'-P energy: -109.835
tors. eta vs tors. theta energy: -235.615
Dist. restrs. and SS energy: 8.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2639.858746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.858746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.138530 (E_RNA)
where:
Base-Base interactions energy: -1864.271
where: short stacking energy: -759.051
Base-Backbone interact. energy: -1.110
local terms energy: -779.757997
where:
bonds (distance) C4'-P energy: -134.670
bonds (distance) P-C4' energy: -138.812
flat angles C4'-P-C4' energy: -161.291
flat angles P-C4'-P energy: -104.791
tors. eta vs tors. theta energy: -240.194
Dist. restrs. and SS energy: 5.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2523.295322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.295322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.949080 (E_RNA)
where:
Base-Base interactions energy: -1770.435
where: short stacking energy: -715.197
Base-Backbone interact. energy: -2.377
local terms energy: -759.137203
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -136.806
flat angles C4'-P-C4' energy: -168.015
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -222.334
Dist. restrs. and SS energy: 8.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2487.633583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.633583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.768506 (E_RNA)
where:
Base-Base interactions energy: -1791.847
where: short stacking energy: -742.390
Base-Backbone interact. energy: -0.118
local terms energy: -699.804321
where:
bonds (distance) C4'-P energy: -129.199
bonds (distance) P-C4' energy: -112.698
flat angles C4'-P-C4' energy: -139.106
flat angles P-C4'-P energy: -97.622
tors. eta vs tors. theta energy: -221.180
Dist. restrs. and SS energy: 4.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2348.632846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.632846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.331711 (E_RNA)
where:
Base-Base interactions energy: -1678.157
where: short stacking energy: -670.204
Base-Backbone interact. energy: -0.834
local terms energy: -679.340795
where:
bonds (distance) C4'-P energy: -115.159
bonds (distance) P-C4' energy: -116.796
flat angles C4'-P-C4' energy: -145.077
flat angles P-C4'-P energy: -102.829
tors. eta vs tors. theta energy: -199.479
Dist. restrs. and SS energy: 9.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2342.518197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.518197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.975374 (E_RNA)
where:
Base-Base interactions energy: -1674.171
where: short stacking energy: -677.201
Base-Backbone interact. energy: -0.496
local terms energy: -676.308825
where:
bonds (distance) C4'-P energy: -117.948
bonds (distance) P-C4' energy: -120.843
flat angles C4'-P-C4' energy: -135.153
flat angles P-C4'-P energy: -90.238
tors. eta vs tors. theta energy: -212.126
Dist. restrs. and SS energy: 8.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2270.416440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.416440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.045415 (E_RNA)
where:
Base-Base interactions energy: -1614.635
where: short stacking energy: -646.922
Base-Backbone interact. energy: -1.170
local terms energy: -666.241285
where:
bonds (distance) C4'-P energy: -128.160
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -131.377
flat angles P-C4'-P energy: -92.473
tors. eta vs tors. theta energy: -200.961
Dist. restrs. and SS energy: 11.629 (S_DIST_RNA)
chem. 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: -2138.479603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.479603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.702408 (E_RNA)
where:
Base-Base interactions energy: -1521.497
where: short stacking energy: -613.930
Base-Backbone interact. energy: -2.724
local terms energy: -624.481060
where:
bonds (distance) C4'-P energy: -106.849
bonds (distance) P-C4' energy: -107.595
flat angles C4'-P-C4' energy: -127.995
flat angles P-C4'-P energy: -88.993
tors. eta vs tors. theta energy: -193.049
Dist. restrs. and SS energy: 10.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -2103.029881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.029881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.406935 (E_RNA)
where:
Base-Base interactions energy: -1509.043
where: short stacking energy: -589.634
Base-Backbone interact. energy: -0.217
local terms energy: -604.146459
where:
bonds (distance) C4'-P energy: -119.549
bonds (distance) P-C4' energy: -80.904
flat angles C4'-P-C4' energy: -142.784
flat angles P-C4'-P energy: -78.797
tors. eta vs tors. theta energy: -182.113
Dist. restrs. and SS energy: 10.377 (S_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: 387
Temperature: 0.900000
Total energy: -2789.864848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.864848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.457971 (E_RNA)
where:
Base-Base interactions energy: -1979.151
where: short stacking energy: -811.552
Base-Backbone interact. energy: -2.266
local terms energy: -814.040693
where:
bonds (distance) C4'-P energy: -142.884
bonds (distance) P-C4' energy: -140.513
flat angles C4'-P-C4' energy: -173.983
flat angles P-C4'-P energy: -108.635
tors. eta vs tors. theta energy: -248.025
Dist. restrs. and SS energy: 5.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2682.606044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.606044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.490325 (E_RNA)
where:
Base-Base interactions energy: -1897.449
where: short stacking energy: -796.948
Base-Backbone interact. energy: -4.545
local terms energy: -791.496143
where:
bonds (distance) C4'-P energy: -132.696
bonds (distance) P-C4' energy: -150.319
flat angles C4'-P-C4' energy: -156.453
flat angles P-C4'-P energy: -104.514
tors. eta vs tors. theta energy: -247.514
Dist. restrs. and SS energy: 10.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2639.806536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.806536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.549024 (E_RNA)
where:
Base-Base interactions energy: -1860.024
where: short stacking energy: -766.898
Base-Backbone interact. energy: -4.655
local terms energy: -778.870495
where:
bonds (distance) C4'-P energy: -132.523
bonds (distance) P-C4' energy: -135.336
flat angles C4'-P-C4' energy: -148.293
flat angles P-C4'-P energy: -123.101
tors. eta vs tors. theta energy: -239.618
Dist. restrs. and SS energy: 3.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2517.844905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.844905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.580452 (E_RNA)
where:
Base-Base interactions energy: -1765.137
where: short stacking energy: -727.035
Base-Backbone interact. energy: 1.014
local terms energy: -759.457685
where:
bonds (distance) C4'-P energy: -140.974
bonds (distance) P-C4' energy: -127.518
flat angles C4'-P-C4' energy: -165.967
flat angles P-C4'-P energy: -96.886
tors. eta vs tors. theta energy: -228.113
Dist. restrs. and SS energy: 5.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2521.131538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.131538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.082843 (E_RNA)
where:
Base-Base interactions energy: -1797.320
where: short stacking energy: -747.436
Base-Backbone interact. energy: 1.951
local terms energy: -730.714648
where:
bonds (distance) C4'-P energy: -124.430
bonds (distance) P-C4' energy: -114.588
flat angles C4'-P-C4' energy: -157.501
flat angles P-C4'-P energy: -99.432
tors. eta vs tors. theta energy: -234.763
Dist. restrs. and SS energy: 4.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2388.087819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.087819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.008861 (E_RNA)
where:
Base-Base interactions energy: -1674.120
where: short stacking energy: -680.255
Base-Backbone interact. energy: -0.384
local terms energy: -727.504488
where:
bonds (distance) C4'-P energy: -128.028
bonds (distance) P-C4' energy: -131.070
flat angles C4'-P-C4' energy: -146.752
flat angles P-C4'-P energy: -106.862
tors. eta vs tors. theta energy: -214.792
Dist. restrs. and SS energy: 13.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2338.958019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.958019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.642032 (E_RNA)
where:
Base-Base interactions energy: -1667.045
where: short stacking energy: -669.225
Base-Backbone interact. energy: -1.188
local terms energy: -679.408283
where:
bonds (distance) C4'-P energy: -120.584
bonds (distance) P-C4' energy: -124.962
flat angles C4'-P-C4' energy: -147.657
flat angles P-C4'-P energy: -75.293
tors. eta vs tors. theta energy: -210.913
Dist. restrs. and SS energy: 8.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2241.688951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.688951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.371027 (E_RNA)
where:
Base-Base interactions energy: -1597.881
where: short stacking energy: -660.908
Base-Backbone interact. energy: 0.723
local terms energy: -649.213537
where:
bonds (distance) C4'-P energy: -116.188
bonds (distance) P-C4' energy: -117.800
flat angles C4'-P-C4' energy: -130.840
flat angles P-C4'-P energy: -82.277
tors. eta vs tors. theta energy: -202.108
Dist. restrs. and SS energy: 4.682 (S_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: 387
Temperature: 1.300000
Total energy: -2167.565581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.565581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.163251 (E_RNA)
where:
Base-Base interactions energy: -1562.719
where: short stacking energy: -631.634
Base-Backbone interact. energy: -0.567
local terms energy: -611.877086
where:
bonds (distance) C4'-P energy: -95.819
bonds (distance) P-C4' energy: -99.050
flat angles C4'-P-C4' energy: -127.690
flat angles P-C4'-P energy: -86.567
tors. eta vs tors. theta energy: -202.751
Dist. restrs. and SS energy: 7.598 (S_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: 387
Temperature: 1.350000
Total energy: -2103.320841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.320841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.211212 (E_RNA)
where:
Base-Base interactions energy: -1552.618
where: short stacking energy: -626.060
Base-Backbone interact. energy: 1.250
local terms energy: -565.842607
where:
bonds (distance) C4'-P energy: -94.614
bonds (distance) P-C4' energy: -106.647
flat angles C4'-P-C4' energy: -131.075
flat angles P-C4'-P energy: -62.153
tors. eta vs tors. theta energy: -171.353
Dist. restrs. and SS energy: 13.890 (S_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: 388
Temperature: 0.900000
Total energy: -2797.358034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.358034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.739945 (E_RNA)
where:
Base-Base interactions energy: -1988.934
where: short stacking energy: -798.473
Base-Backbone interact. energy: -1.205
local terms energy: -812.600226
where:
bonds (distance) C4'-P energy: -144.781
bonds (distance) P-C4' energy: -133.315
flat angles C4'-P-C4' energy: -172.007
flat angles P-C4'-P energy: -115.095
tors. eta vs tors. theta energy: -247.403
Dist. restrs. and SS energy: 5.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2659.268277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.268277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.995409 (E_RNA)
where:
Base-Base interactions energy: -1883.858
where: short stacking energy: -780.410
Base-Backbone interact. energy: -1.787
local terms energy: -786.350657
where:
bonds (distance) C4'-P energy: -143.258
bonds (distance) P-C4' energy: -138.280
flat angles C4'-P-C4' energy: -153.345
flat angles P-C4'-P energy: -106.161
tors. eta vs tors. theta energy: -245.306
Dist. restrs. and SS energy: 12.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2611.033071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.033071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.615136 (E_RNA)
where:
Base-Base interactions energy: -1840.323
where: short stacking energy: -764.287
Base-Backbone interact. energy: -2.632
local terms energy: -770.660511
where:
bonds (distance) C4'-P energy: -124.243
bonds (distance) P-C4' energy: -142.793
flat angles C4'-P-C4' energy: -152.404
flat angles P-C4'-P energy: -112.670
tors. eta vs tors. theta energy: -238.550
Dist. restrs. and SS energy: 2.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2541.024393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.024393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.217977 (E_RNA)
where:
Base-Base interactions energy: -1806.356
where: short stacking energy: -732.520
Base-Backbone interact. energy: -1.473
local terms energy: -740.389846
where:
bonds (distance) C4'-P energy: -127.080
bonds (distance) P-C4' energy: -130.269
flat angles C4'-P-C4' energy: -166.504
flat angles P-C4'-P energy: -83.302
tors. eta vs tors. theta energy: -233.235
Dist. restrs. and SS energy: 7.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2528.237014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.237014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.985330 (E_RNA)
where:
Base-Base interactions energy: -1825.419
where: short stacking energy: -752.244
Base-Backbone interact. energy: -2.063
local terms energy: -703.504222
where:
bonds (distance) C4'-P energy: -118.056
bonds (distance) P-C4' energy: -112.112
flat angles C4'-P-C4' energy: -150.585
flat angles P-C4'-P energy: -92.173
tors. eta vs tors. theta energy: -230.578
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2350.912306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.912306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.598879 (E_RNA)
where:
Base-Base interactions energy: -1682.924
where: short stacking energy: -657.527
Base-Backbone interact. energy: -1.986
local terms energy: -677.688941
where:
bonds (distance) C4'-P energy: -124.271
bonds (distance) P-C4' energy: -114.732
flat angles C4'-P-C4' energy: -142.598
flat angles P-C4'-P energy: -89.203
tors. eta vs tors. theta energy: -206.885
Dist. restrs. and SS energy: 11.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2294.322478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.322478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.866309 (E_RNA)
where:
Base-Base interactions energy: -1623.593
where: short stacking energy: -642.042
Base-Backbone interact. energy: -4.936
local terms energy: -675.337909
where:
bonds (distance) C4'-P energy: -133.010
bonds (distance) P-C4' energy: -110.199
flat angles C4'-P-C4' energy: -145.656
flat angles P-C4'-P energy: -89.157
tors. eta vs tors. theta energy: -197.316
Dist. restrs. and SS energy: 9.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2215.631630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.631630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.821967 (E_RNA)
where:
Base-Base interactions energy: -1584.489
where: short stacking energy: -631.828
Base-Backbone interact. energy: 2.602
local terms energy: -643.934958
where:
bonds (distance) C4'-P energy: -97.375
bonds (distance) P-C4' energy: -114.439
flat angles C4'-P-C4' energy: -139.779
flat angles P-C4'-P energy: -95.814
tors. eta vs tors. theta energy: -196.527
Dist. restrs. and SS energy: 10.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -2115.117812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.117812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.345417 (E_RNA)
where:
Base-Base interactions energy: -1508.878
where: short stacking energy: -599.541
Base-Backbone interact. energy: -2.952
local terms energy: -618.516181
where:
bonds (distance) C4'-P energy: -124.543
bonds (distance) P-C4' energy: -104.918
flat angles C4'-P-C4' energy: -127.357
flat angles P-C4'-P energy: -77.221
tors. eta vs tors. theta energy: -184.478
Dist. restrs. and SS energy: 15.228 (S_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: 388
Temperature: 1.350000
Total energy: -2130.088111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.088111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.982070 (E_RNA)
where:
Base-Base interactions energy: -1509.799
where: short stacking energy: -604.296
Base-Backbone interact. energy: -1.726
local terms energy: -629.456626
where:
bonds (distance) C4'-P energy: -102.491
bonds (distance) P-C4' energy: -108.817
flat angles C4'-P-C4' energy: -144.427
flat angles P-C4'-P energy: -78.673
tors. eta vs tors. theta energy: -195.048
Dist. restrs. and SS energy: 10.894 (S_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: 389
Temperature: 0.900000
Total energy: -2801.274204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.274204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.192221 (E_RNA)
where:
Base-Base interactions energy: -1971.470
where: short stacking energy: -793.984
Base-Backbone interact. energy: -4.582
local terms energy: -831.139854
where:
bonds (distance) C4'-P energy: -150.830
bonds (distance) P-C4' energy: -146.141
flat angles C4'-P-C4' energy: -165.617
flat angles P-C4'-P energy: -126.084
tors. eta vs tors. theta energy: -242.469
Dist. restrs. and SS energy: 5.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2671.766658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.766658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.720861 (E_RNA)
where:
Base-Base interactions energy: -1888.201
where: short stacking energy: -783.473
Base-Backbone interact. energy: -2.285
local terms energy: -796.235220
where:
bonds (distance) C4'-P energy: -145.678
bonds (distance) P-C4' energy: -127.023
flat angles C4'-P-C4' energy: -157.396
flat angles P-C4'-P energy: -122.095
tors. eta vs tors. theta energy: -244.042
Dist. restrs. and SS energy: 14.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2642.075813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.075813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.436475 (E_RNA)
where:
Base-Base interactions energy: -1847.762
where: short stacking energy: -771.000
Base-Backbone interact. energy: 1.275
local terms energy: -797.949674
where:
bonds (distance) C4'-P energy: -133.736
bonds (distance) P-C4' energy: -133.490
flat angles C4'-P-C4' energy: -163.562
flat angles P-C4'-P energy: -122.355
tors. eta vs tors. theta energy: -244.806
Dist. restrs. and SS energy: 2.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2536.667613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.667613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.913911 (E_RNA)
where:
Base-Base interactions energy: -1797.329
where: short stacking energy: -736.143
Base-Backbone interact. energy: -0.888
local terms energy: -746.696807
where:
bonds (distance) C4'-P energy: -123.144
bonds (distance) P-C4' energy: -127.915
flat angles C4'-P-C4' energy: -154.529
flat angles P-C4'-P energy: -113.105
tors. eta vs tors. theta energy: -228.004
Dist. restrs. and SS energy: 8.246 (S_DIST_RNA)
chem. 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: -2497.815194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.815194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.563320 (E_RNA)
where:
Base-Base interactions energy: -1753.323
where: short stacking energy: -720.805
Base-Backbone interact. energy: 0.219
local terms energy: -751.459610
where:
bonds (distance) C4'-P energy: -122.650
bonds (distance) P-C4' energy: -142.281
flat angles C4'-P-C4' energy: -154.476
flat angles P-C4'-P energy: -101.310
tors. eta vs tors. theta energy: -230.742
Dist. restrs. and SS energy: 6.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2425.995347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.995347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.886621 (E_RNA)
where:
Base-Base interactions energy: -1743.018
where: short stacking energy: -725.912
Base-Backbone interact. energy: -1.707
local terms energy: -692.161525
where:
bonds (distance) C4'-P energy: -118.653
bonds (distance) P-C4' energy: -123.967
flat angles C4'-P-C4' energy: -144.288
flat angles P-C4'-P energy: -91.047
tors. eta vs tors. theta energy: -214.207
Dist. restrs. and SS energy: 10.891 (S_DIST_RNA)
chem. 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: -2332.143622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.143622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.505602 (E_RNA)
where:
Base-Base interactions energy: -1656.614
where: short stacking energy: -655.315
Base-Backbone interact. energy: -2.232
local terms energy: -678.659441
where:
bonds (distance) C4'-P energy: -110.867
bonds (distance) P-C4' energy: -118.719
flat angles C4'-P-C4' energy: -153.151
flat angles P-C4'-P energy: -94.877
tors. eta vs tors. theta energy: -201.046
Dist. restrs. and SS energy: 5.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -2220.790717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.790717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.362527 (E_RNA)
where:
Base-Base interactions energy: -1609.674
where: short stacking energy: -636.871
Base-Backbone interact. energy: 5.444
local terms energy: -626.132472
where:
bonds (distance) C4'-P energy: -94.455
bonds (distance) P-C4' energy: -111.709
flat angles C4'-P-C4' energy: -136.441
flat angles P-C4'-P energy: -85.832
tors. eta vs tors. theta energy: -197.696
Dist. restrs. and SS energy: 9.572 (S_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: -2109.610777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.610777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.839169 (E_RNA)
where:
Base-Base interactions energy: -1525.063
where: short stacking energy: -620.459
Base-Backbone interact. energy: -0.216
local terms energy: -597.560223
where:
bonds (distance) C4'-P energy: -79.390
bonds (distance) P-C4' energy: -109.946
flat angles C4'-P-C4' energy: -132.443
flat angles P-C4'-P energy: -81.304
tors. eta vs tors. theta energy: -194.477
Dist. restrs. and SS energy: 13.228 (S_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: 389
Temperature: 1.350000
Total energy: -2089.879963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.879963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.239903 (E_RNA)
where:
Base-Base interactions energy: -1496.921
where: short stacking energy: -581.275
Base-Backbone interact. energy: -1.994
local terms energy: -604.324440
where:
bonds (distance) C4'-P energy: -103.189
bonds (distance) P-C4' energy: -121.708
flat angles C4'-P-C4' energy: -134.469
flat angles P-C4'-P energy: -73.839
tors. eta vs tors. theta energy: -171.119
Dist. restrs. and SS energy: 13.360 (S_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: 390
Temperature: 0.900000
Total energy: -2819.300429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.300429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.394888 (E_RNA)
where:
Base-Base interactions energy: -2019.062
where: short stacking energy: -808.646
Base-Backbone interact. energy: -2.023
local terms energy: -805.309526
where:
bonds (distance) C4'-P energy: -125.953
bonds (distance) P-C4' energy: -141.299
flat angles C4'-P-C4' energy: -167.380
flat angles P-C4'-P energy: -116.976
tors. eta vs tors. theta energy: -253.702
Dist. restrs. and SS energy: 7.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2677.578476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.578476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.983539 (E_RNA)
where:
Base-Base interactions energy: -1912.147
where: short stacking energy: -789.418
Base-Backbone interact. energy: -4.584
local terms energy: -769.252718
where:
bonds (distance) C4'-P energy: -115.035
bonds (distance) P-C4' energy: -134.455
flat angles C4'-P-C4' energy: -158.126
flat angles P-C4'-P energy: -117.680
tors. eta vs tors. theta energy: -243.956
Dist. restrs. and SS energy: 8.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2669.233684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.233684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.231549 (E_RNA)
where:
Base-Base interactions energy: -1876.448
where: short stacking energy: -762.595
Base-Backbone interact. energy: -0.854
local terms energy: -797.929284
where:
bonds (distance) C4'-P energy: -128.579
bonds (distance) P-C4' energy: -142.674
flat angles C4'-P-C4' energy: -165.801
flat angles P-C4'-P energy: -121.645
tors. eta vs tors. theta energy: -239.230
Dist. restrs. and SS energy: 5.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2556.832803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.832803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.674534 (E_RNA)
where:
Base-Base interactions energy: -1803.287
where: short stacking energy: -742.654
Base-Backbone interact. energy: -2.386
local terms energy: -762.000862
where:
bonds (distance) C4'-P energy: -137.889
bonds (distance) P-C4' energy: -137.136
flat angles C4'-P-C4' energy: -157.216
flat angles P-C4'-P energy: -98.372
tors. eta vs tors. theta energy: -231.389
Dist. restrs. and SS energy: 10.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2487.837131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.837131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.504605 (E_RNA)
where:
Base-Base interactions energy: -1782.489
where: short stacking energy: -733.995
Base-Backbone interact. energy: -0.741
local terms energy: -709.274860
where:
bonds (distance) C4'-P energy: -123.330
bonds (distance) P-C4' energy: -120.721
flat angles C4'-P-C4' energy: -144.382
flat angles P-C4'-P energy: -98.071
tors. eta vs tors. theta energy: -222.771
Dist. restrs. and SS energy: 4.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2399.542374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.542374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.796429 (E_RNA)
where:
Base-Base interactions energy: -1716.056
where: short stacking energy: -700.095
Base-Backbone interact. energy: 0.760
local terms energy: -696.500049
where:
bonds (distance) C4'-P energy: -123.282
bonds (distance) P-C4' energy: -115.048
flat angles C4'-P-C4' energy: -145.672
flat angles P-C4'-P energy: -98.878
tors. eta vs tors. theta energy: -213.620
Dist. restrs. and SS energy: 12.254 (S_DIST_RNA)
chem. 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: -2337.031472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.031472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.260364 (E_RNA)
where:
Base-Base interactions energy: -1652.331
where: short stacking energy: -672.974
Base-Backbone interact. energy: -1.953
local terms energy: -690.975462
where:
bonds (distance) C4'-P energy: -128.272
bonds (distance) P-C4' energy: -120.545
flat angles C4'-P-C4' energy: -138.168
flat angles P-C4'-P energy: -96.962
tors. eta vs tors. theta energy: -207.029
Dist. restrs. and SS energy: 8.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2236.140442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.140442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.079607 (E_RNA)
where:
Base-Base interactions energy: -1602.825
where: short stacking energy: -659.549
Base-Backbone interact. energy: -3.569
local terms energy: -641.685716
where:
bonds (distance) C4'-P energy: -119.429
bonds (distance) P-C4' energy: -121.079
flat angles C4'-P-C4' energy: -123.701
flat angles P-C4'-P energy: -73.143
tors. eta vs tors. theta energy: -204.334
Dist. restrs. and SS energy: 11.939 (S_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: -2123.650318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.650318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.821220 (E_RNA)
where:
Base-Base interactions energy: -1500.815
where: short stacking energy: -618.479
Base-Backbone interact. energy: -0.227
local terms energy: -634.778873
where:
bonds (distance) C4'-P energy: -102.355
bonds (distance) P-C4' energy: -101.204
flat angles C4'-P-C4' energy: -152.543
flat angles P-C4'-P energy: -103.888
tors. eta vs tors. theta energy: -174.788
Dist. restrs. and SS energy: 12.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -2122.917056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.917056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.045884 (E_RNA)
where:
Base-Base interactions energy: -1519.456
where: short stacking energy: -607.149
Base-Backbone interact. energy: -1.359
local terms energy: -612.230836
where:
bonds (distance) C4'-P energy: -115.316
bonds (distance) P-C4' energy: -91.581
flat angles C4'-P-C4' energy: -148.157
flat angles P-C4'-P energy: -78.218
tors. eta vs tors. theta energy: -178.958
Dist. restrs. and SS energy: 10.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2792.979490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.979490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.245939 (E_RNA)
where:
Base-Base interactions energy: -1992.806
where: short stacking energy: -820.009
Base-Backbone interact. energy: -0.068
local terms energy: -807.371691
where:
bonds (distance) C4'-P energy: -142.396
bonds (distance) P-C4' energy: -132.386
flat angles C4'-P-C4' energy: -170.916
flat angles P-C4'-P energy: -110.713
tors. eta vs tors. theta energy: -250.960
Dist. restrs. and SS energy: 7.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2676.969071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.969071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.134738 (E_RNA)
where:
Base-Base interactions energy: -1903.483
where: short stacking energy: -778.415
Base-Backbone interact. energy: -2.705
local terms energy: -779.946439
where:
bonds (distance) C4'-P energy: -110.105
bonds (distance) P-C4' energy: -129.626
flat angles C4'-P-C4' energy: -166.268
flat angles P-C4'-P energy: -125.327
tors. eta vs tors. theta energy: -248.620
Dist. restrs. and SS energy: 9.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2644.749442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.749442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.658421 (E_RNA)
where:
Base-Base interactions energy: -1873.247
where: short stacking energy: -757.619
Base-Backbone interact. energy: 0.916
local terms energy: -775.327607
where:
bonds (distance) C4'-P energy: -132.075
bonds (distance) P-C4' energy: -115.929
flat angles C4'-P-C4' energy: -169.167
flat angles P-C4'-P energy: -126.377
tors. eta vs tors. theta energy: -231.780
Dist. restrs. and SS energy: 2.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2569.462016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.462016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.507876 (E_RNA)
where:
Base-Base interactions energy: -1808.700
where: short stacking energy: -759.779
Base-Backbone interact. energy: -0.449
local terms energy: -764.359002
where:
bonds (distance) C4'-P energy: -127.257
bonds (distance) P-C4' energy: -133.626
flat angles C4'-P-C4' energy: -158.476
flat angles P-C4'-P energy: -112.819
tors. eta vs tors. theta energy: -232.181
Dist. restrs. and SS energy: 4.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2498.384109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.384109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.494686 (E_RNA)
where:
Base-Base interactions energy: -1758.084
where: short stacking energy: -705.402
Base-Backbone interact. energy: -2.961
local terms energy: -747.449912
where:
bonds (distance) C4'-P energy: -108.537
bonds (distance) P-C4' energy: -134.600
flat angles C4'-P-C4' energy: -169.098
flat angles P-C4'-P energy: -108.544
tors. eta vs tors. theta energy: -226.671
Dist. restrs. and SS energy: 10.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2402.461074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.461074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.739798 (E_RNA)
where:
Base-Base interactions energy: -1711.727
where: short stacking energy: -699.565
Base-Backbone interact. energy: -2.572
local terms energy: -700.440284
where:
bonds (distance) C4'-P energy: -118.714
bonds (distance) P-C4' energy: -126.050
flat angles C4'-P-C4' energy: -147.395
flat angles P-C4'-P energy: -95.785
tors. eta vs tors. theta energy: -212.496
Dist. restrs. and SS energy: 12.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2339.374904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.374904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.156126 (E_RNA)
where:
Base-Base interactions energy: -1659.801
where: short stacking energy: -688.858
Base-Backbone interact. energy: 4.835
local terms energy: -692.190397
where:
bonds (distance) C4'-P energy: -110.477
bonds (distance) P-C4' energy: -116.665
flat angles C4'-P-C4' energy: -150.363
flat angles P-C4'-P energy: -103.641
tors. eta vs tors. theta energy: -211.044
Dist. restrs. and SS energy: 7.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -2224.136674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.136674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.048436 (E_RNA)
where:
Base-Base interactions energy: -1606.529
where: short stacking energy: -638.202
Base-Backbone interact. energy: 1.045
local terms energy: -633.564717
where:
bonds (distance) C4'-P energy: -111.457
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -145.532
flat angles P-C4'-P energy: -80.264
tors. eta vs tors. theta energy: -184.479
Dist. restrs. and SS energy: 14.912 (S_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: -2116.212401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.212401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.033579 (E_RNA)
where:
Base-Base interactions energy: -1498.926
where: short stacking energy: -596.970
Base-Backbone interact. energy: -0.721
local terms energy: -626.386617
where:
bonds (distance) C4'-P energy: -92.746
bonds (distance) P-C4' energy: -114.217
flat angles C4'-P-C4' energy: -150.778
flat angles P-C4'-P energy: -77.117
tors. eta vs tors. theta energy: -191.529
Dist. restrs. and SS energy: 9.821 (S_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: 391
Temperature: 1.350000
Total energy: -2051.560499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.560499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.291321 (E_RNA)
where:
Base-Base interactions energy: -1442.803
where: short stacking energy: -568.322
Base-Backbone interact. energy: -2.863
local terms energy: -622.625808
where:
bonds (distance) C4'-P energy: -104.914
bonds (distance) P-C4' energy: -117.047
flat angles C4'-P-C4' energy: -129.439
flat angles P-C4'-P energy: -82.762
tors. eta vs tors. theta energy: -188.464
Dist. restrs. and SS energy: 16.731 (S_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: 392
Temperature: 0.900000
Total energy: -2785.290361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.290361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.230491 (E_RNA)
where:
Base-Base interactions energy: -1957.517
where: short stacking energy: -797.367
Base-Backbone interact. energy: 0.043
local terms energy: -833.756071
where:
bonds (distance) C4'-P energy: -148.315
bonds (distance) P-C4' energy: -144.176
flat angles C4'-P-C4' energy: -172.089
flat angles P-C4'-P energy: -114.453
tors. eta vs tors. theta energy: -254.724
Dist. restrs. and SS energy: 5.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2676.489788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.489788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.120222 (E_RNA)
where:
Base-Base interactions energy: -1891.026
where: short stacking energy: -764.198
Base-Backbone interact. energy: -1.890
local terms energy: -798.204595
where:
bonds (distance) C4'-P energy: -138.934
bonds (distance) P-C4' energy: -131.197
flat angles C4'-P-C4' energy: -162.749
flat angles P-C4'-P energy: -123.708
tors. eta vs tors. theta energy: -241.616
Dist. restrs. and SS energy: 14.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2690.293904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.293904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.030381 (E_RNA)
where:
Base-Base interactions energy: -1876.392
where: short stacking energy: -780.160
Base-Backbone interact. energy: -1.516
local terms energy: -817.122153
where:
bonds (distance) C4'-P energy: -143.375
bonds (distance) P-C4' energy: -137.328
flat angles C4'-P-C4' energy: -168.024
flat angles P-C4'-P energy: -128.247
tors. eta vs tors. theta energy: -240.147
Dist. restrs. and SS energy: 4.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2541.893622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.893622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.914341 (E_RNA)
where:
Base-Base interactions energy: -1807.736
where: short stacking energy: -719.856
Base-Backbone interact. energy: 3.138
local terms energy: -742.316252
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -132.983
flat angles C4'-P-C4' energy: -147.579
flat angles P-C4'-P energy: -103.284
tors. eta vs tors. theta energy: -231.722
Dist. restrs. and SS energy: 5.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2478.677776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.677776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.947511 (E_RNA)
where:
Base-Base interactions energy: -1769.373
where: short stacking energy: -719.655
Base-Backbone interact. energy: -3.757
local terms energy: -719.818345
where:
bonds (distance) C4'-P energy: -126.967
bonds (distance) P-C4' energy: -120.668
flat angles C4'-P-C4' energy: -157.378
flat angles P-C4'-P energy: -90.930
tors. eta vs tors. theta energy: -223.875
Dist. restrs. and SS energy: 14.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2383.850685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.850685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.407718 (E_RNA)
where:
Base-Base interactions energy: -1682.642
where: short stacking energy: -690.982
Base-Backbone interact. energy: -0.443
local terms energy: -713.323169
where:
bonds (distance) C4'-P energy: -118.996
bonds (distance) P-C4' energy: -136.897
flat angles C4'-P-C4' energy: -151.885
flat angles P-C4'-P energy: -89.536
tors. eta vs tors. theta energy: -216.009
Dist. restrs. and SS energy: 12.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2301.152364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.152364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.208504 (E_RNA)
where:
Base-Base interactions energy: -1648.050
where: short stacking energy: -666.100
Base-Backbone interact. energy: 3.978
local terms energy: -663.136069
where:
bonds (distance) C4'-P energy: -110.245
bonds (distance) P-C4' energy: -106.745
flat angles C4'-P-C4' energy: -148.190
flat angles P-C4'-P energy: -93.940
tors. eta vs tors. theta energy: -204.016
Dist. restrs. and SS energy: 6.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2297.269933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.269933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.199394 (E_RNA)
where:
Base-Base interactions energy: -1655.495
where: short stacking energy: -651.131
Base-Backbone interact. energy: -1.976
local terms energy: -646.727677
where:
bonds (distance) C4'-P energy: -97.526
bonds (distance) P-C4' energy: -119.514
flat angles C4'-P-C4' energy: -119.641
flat angles P-C4'-P energy: -100.430
tors. eta vs tors. theta energy: -209.617
Dist. restrs. and SS energy: 6.929 (S_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: 392
Temperature: 1.300000
Total energy: -2106.143522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.143522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.233565 (E_RNA)
where:
Base-Base interactions energy: -1510.344
where: short stacking energy: -601.221
Base-Backbone interact. energy: -3.814
local terms energy: -605.075520
where:
bonds (distance) C4'-P energy: -104.790
bonds (distance) P-C4' energy: -103.142
flat angles C4'-P-C4' energy: -137.159
flat angles P-C4'-P energy: -79.271
tors. eta vs tors. theta energy: -180.713
Dist. restrs. and SS energy: 13.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -2033.705392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.705392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.807307 (E_RNA)
where:
Base-Base interactions energy: -1446.437
where: short stacking energy: -557.117
Base-Backbone interact. energy: -1.960
local terms energy: -602.410656
where:
bonds (distance) C4'-P energy: -95.957
bonds (distance) P-C4' energy: -126.641
flat angles C4'-P-C4' energy: -134.219
flat angles P-C4'-P energy: -79.273
tors. eta vs tors. theta energy: -166.321
Dist. restrs. and SS energy: 17.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2781.135300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.135300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.721590 (E_RNA)
where:
Base-Base interactions energy: -1964.141
where: short stacking energy: -802.094
Base-Backbone interact. energy: -0.260
local terms energy: -823.321001
where:
bonds (distance) C4'-P energy: -145.551
bonds (distance) P-C4' energy: -142.962
flat angles C4'-P-C4' energy: -171.377
flat angles P-C4'-P energy: -119.222
tors. eta vs tors. theta energy: -244.209
Dist. restrs. and SS energy: 6.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2666.378312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.378312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.125809 (E_RNA)
where:
Base-Base interactions energy: -1897.114
where: short stacking energy: -773.290
Base-Backbone interact. energy: -0.458
local terms energy: -782.553819
where:
bonds (distance) C4'-P energy: -135.502
bonds (distance) P-C4' energy: -134.001
flat angles C4'-P-C4' energy: -163.636
flat angles P-C4'-P energy: -117.624
tors. eta vs tors. theta energy: -231.791
Dist. restrs. and SS energy: 13.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2660.635971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.635971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.953913 (E_RNA)
where:
Base-Base interactions energy: -1882.761
where: short stacking energy: -794.514
Base-Backbone interact. energy: -0.963
local terms energy: -781.229849
where:
bonds (distance) C4'-P energy: -145.578
bonds (distance) P-C4' energy: -134.200
flat angles C4'-P-C4' energy: -168.047
flat angles P-C4'-P energy: -99.980
tors. eta vs tors. theta energy: -233.426
Dist. restrs. and SS energy: 4.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2556.311467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.311467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.146127 (E_RNA)
where:
Base-Base interactions energy: -1808.654
where: short stacking energy: -739.569
Base-Backbone interact. energy: -2.145
local terms energy: -749.346437
where:
bonds (distance) C4'-P energy: -137.241
bonds (distance) P-C4' energy: -131.415
flat angles C4'-P-C4' energy: -157.780
flat angles P-C4'-P energy: -101.134
tors. eta vs tors. theta energy: -221.777
Dist. restrs. and SS energy: 3.835 (S_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: 393
Temperature: 1.100000
Total energy: -2440.300038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.300038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.982590 (E_RNA)
where:
Base-Base interactions energy: -1735.568
where: short stacking energy: -683.264
Base-Backbone interact. energy: 4.855
local terms energy: -725.269317
where:
bonds (distance) C4'-P energy: -129.720
bonds (distance) P-C4' energy: -120.410
flat angles C4'-P-C4' energy: -149.351
flat angles P-C4'-P energy: -104.291
tors. eta vs tors. theta energy: -221.498
Dist. restrs. and SS energy: 15.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2402.614100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.614100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.516518 (E_RNA)
where:
Base-Base interactions energy: -1735.849
where: short stacking energy: -698.957
Base-Backbone interact. energy: -1.246
local terms energy: -679.421624
where:
bonds (distance) C4'-P energy: -115.882
bonds (distance) P-C4' energy: -111.387
flat angles C4'-P-C4' energy: -138.143
flat angles P-C4'-P energy: -94.047
tors. eta vs tors. theta energy: -219.963
Dist. restrs. and SS energy: 13.902 (S_DIST_RNA)
chem. 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: -2346.636527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.636527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.443340 (E_RNA)
where:
Base-Base interactions energy: -1678.536
where: short stacking energy: -661.475
Base-Backbone interact. energy: -2.043
local terms energy: -674.864716
where:
bonds (distance) C4'-P energy: -118.404
bonds (distance) P-C4' energy: -127.532
flat angles C4'-P-C4' energy: -134.790
flat angles P-C4'-P energy: -90.796
tors. eta vs tors. theta energy: -203.342
Dist. restrs. and SS energy: 8.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -2263.935656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.935656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.780594 (E_RNA)
where:
Base-Base interactions energy: -1622.163
where: short stacking energy: -638.937
Base-Backbone interact. energy: -2.058
local terms energy: -649.559538
where:
bonds (distance) C4'-P energy: -110.209
bonds (distance) P-C4' energy: -115.553
flat angles C4'-P-C4' energy: -135.940
flat angles P-C4'-P energy: -90.944
tors. eta vs tors. theta energy: -196.913
Dist. restrs. and SS energy: 9.845 (S_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: 393
Temperature: 1.300000
Total energy: -2027.275128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.275128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.489127 (E_RNA)
where:
Base-Base interactions energy: -1460.662
where: short stacking energy: -594.769
Base-Backbone interact. energy: 1.123
local terms energy: -583.950327
where:
bonds (distance) C4'-P energy: -99.533
bonds (distance) P-C4' energy: -90.331
flat angles C4'-P-C4' energy: -113.461
flat angles P-C4'-P energy: -91.699
tors. eta vs tors. theta energy: -188.926
Dist. restrs. and SS energy: 16.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -2070.635118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.635118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.945182 (E_RNA)
where:
Base-Base interactions energy: -1454.990
where: short stacking energy: -559.678
Base-Backbone interact. energy: -2.258
local terms energy: -627.696374
where:
bonds (distance) C4'-P energy: -115.558
bonds (distance) P-C4' energy: -104.743
flat angles C4'-P-C4' energy: -134.106
flat angles P-C4'-P energy: -91.402
tors. eta vs tors. theta energy: -181.888
Dist. restrs. and SS energy: 14.310 (S_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: 394
Temperature: 0.900000
Total energy: -2793.481887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.481887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.541852 (E_RNA)
where:
Base-Base interactions energy: -1975.026
where: short stacking energy: -792.922
Base-Backbone interact. energy: 0.226
local terms energy: -825.741838
where:
bonds (distance) C4'-P energy: -134.745
bonds (distance) P-C4' energy: -151.076
flat angles C4'-P-C4' energy: -172.637
flat angles P-C4'-P energy: -110.941
tors. eta vs tors. theta energy: -256.343
Dist. restrs. and SS energy: 7.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2662.790474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.790474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.977791 (E_RNA)
where:
Base-Base interactions energy: -1875.791
where: short stacking energy: -791.914
Base-Backbone interact. energy: 0.346
local terms energy: -799.532724
where:
bonds (distance) C4'-P energy: -128.238
bonds (distance) P-C4' energy: -144.065
flat angles C4'-P-C4' energy: -169.643
flat angles P-C4'-P energy: -113.761
tors. eta vs tors. theta energy: -243.825
Dist. restrs. and SS energy: 12.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2648.062235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.062235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.816880 (E_RNA)
where:
Base-Base interactions energy: -1893.474
where: short stacking energy: -766.404
Base-Backbone interact. energy: 2.269
local terms energy: -760.612547
where:
bonds (distance) C4'-P energy: -136.164
bonds (distance) P-C4' energy: -125.946
flat angles C4'-P-C4' energy: -157.584
flat angles P-C4'-P energy: -100.773
tors. eta vs tors. theta energy: -240.145
Dist. restrs. and SS energy: 3.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2536.212772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.212772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.982559 (E_RNA)
where:
Base-Base interactions energy: -1785.079
where: short stacking energy: -725.158
Base-Backbone interact. energy: -1.309
local terms energy: -753.594453
where:
bonds (distance) C4'-P energy: -129.759
bonds (distance) P-C4' energy: -131.958
flat angles C4'-P-C4' energy: -160.935
flat angles P-C4'-P energy: -109.040
tors. eta vs tors. theta energy: -221.903
Dist. restrs. and SS energy: 3.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2440.900929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.900929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.262884 (E_RNA)
where:
Base-Base interactions energy: -1742.517
where: short stacking energy: -701.395
Base-Backbone interact. energy: -2.403
local terms energy: -705.342400
where:
bonds (distance) C4'-P energy: -113.015
bonds (distance) P-C4' energy: -128.311
flat angles C4'-P-C4' energy: -139.297
flat angles P-C4'-P energy: -111.974
tors. eta vs tors. theta energy: -212.744
Dist. restrs. and SS energy: 9.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2432.852203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.852203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.168013 (E_RNA)
where:
Base-Base interactions energy: -1703.716
where: short stacking energy: -695.557
Base-Backbone interact. energy: 0.705
local terms energy: -743.156964
where:
bonds (distance) C4'-P energy: -126.498
bonds (distance) P-C4' energy: -146.378
flat angles C4'-P-C4' energy: -149.434
flat angles P-C4'-P energy: -100.401
tors. eta vs tors. theta energy: -220.446
Dist. restrs. and SS energy: 13.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2379.786130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.786130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.868123 (E_RNA)
where:
Base-Base interactions energy: -1684.259
where: short stacking energy: -657.507
Base-Backbone interact. energy: -3.244
local terms energy: -701.365550
where:
bonds (distance) C4'-P energy: -122.993
bonds (distance) P-C4' energy: -122.304
flat angles C4'-P-C4' energy: -147.766
flat angles P-C4'-P energy: -92.972
tors. eta vs tors. theta energy: -215.331
Dist. restrs. and SS energy: 9.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2258.008915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.008915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.146171 (E_RNA)
where:
Base-Base interactions energy: -1625.736
where: short stacking energy: -649.040
Base-Backbone interact. energy: -0.482
local terms energy: -646.928169
where:
bonds (distance) C4'-P energy: -128.812
bonds (distance) P-C4' energy: -103.771
flat angles C4'-P-C4' energy: -125.480
flat angles P-C4'-P energy: -86.046
tors. eta vs tors. theta energy: -202.819
Dist. restrs. and SS energy: 15.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -2183.322758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.322758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.093210 (E_RNA)
where:
Base-Base interactions energy: -1531.471
where: short stacking energy: -609.850
Base-Backbone interact. energy: -0.513
local terms energy: -661.108699
where:
bonds (distance) C4'-P energy: -138.883
bonds (distance) P-C4' energy: -117.858
flat angles C4'-P-C4' energy: -138.368
flat angles P-C4'-P energy: -83.602
tors. eta vs tors. theta energy: -182.397
Dist. restrs. and SS energy: 9.770 (S_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: 394
Temperature: 1.350000
Total energy: -2051.233792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.233792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.489037 (E_RNA)
where:
Base-Base interactions energy: -1435.596
where: short stacking energy: -577.811
Base-Backbone interact. energy: -1.814
local terms energy: -626.078252
where:
bonds (distance) C4'-P energy: -105.547
bonds (distance) P-C4' energy: -114.749
flat angles C4'-P-C4' energy: -134.910
flat angles P-C4'-P energy: -89.714
tors. eta vs tors. theta energy: -181.159
Dist. restrs. and SS energy: 12.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2803.266858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.266858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.969794 (E_RNA)
where:
Base-Base interactions energy: -1984.583
where: short stacking energy: -811.239
Base-Backbone interact. energy: -4.415
local terms energy: -821.971914
where:
bonds (distance) C4'-P energy: -137.879
bonds (distance) P-C4' energy: -148.626
flat angles C4'-P-C4' energy: -168.728
flat angles P-C4'-P energy: -121.040
tors. eta vs tors. theta energy: -245.698
Dist. restrs. and SS energy: 7.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2676.610905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.610905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.515919 (E_RNA)
where:
Base-Base interactions energy: -1924.578
where: short stacking energy: -790.682
Base-Backbone interact. energy: 0.584
local terms energy: -762.521850
where:
bonds (distance) C4'-P energy: -131.134
bonds (distance) P-C4' energy: -114.067
flat angles C4'-P-C4' energy: -155.236
flat angles P-C4'-P energy: -122.082
tors. eta vs tors. theta energy: -240.002
Dist. restrs. and SS energy: 9.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2621.273049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.273049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.807547 (E_RNA)
where:
Base-Base interactions energy: -1854.198
where: short stacking energy: -752.398
Base-Backbone interact. energy: -2.358
local terms energy: -769.251247
where:
bonds (distance) C4'-P energy: -123.740
bonds (distance) P-C4' energy: -139.672
flat angles C4'-P-C4' energy: -166.230
flat angles P-C4'-P energy: -103.288
tors. eta vs tors. theta energy: -236.321
Dist. restrs. and SS energy: 4.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2538.430075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.430075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.665240 (E_RNA)
where:
Base-Base interactions energy: -1815.680
where: short stacking energy: -748.133
Base-Backbone interact. energy: 3.112
local terms energy: -729.096805
where:
bonds (distance) C4'-P energy: -125.644
bonds (distance) P-C4' energy: -116.865
flat angles C4'-P-C4' energy: -148.220
flat angles P-C4'-P energy: -110.902
tors. eta vs tors. theta energy: -227.466
Dist. restrs. and SS energy: 3.235 (S_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: 395
Temperature: 1.100000
Total energy: -2503.927185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.927185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.929782 (E_RNA)
where:
Base-Base interactions energy: -1780.538
where: short stacking energy: -711.797
Base-Backbone interact. energy: 5.710
local terms energy: -743.102116
where:
bonds (distance) C4'-P energy: -130.161
bonds (distance) P-C4' energy: -123.094
flat angles C4'-P-C4' energy: -154.737
flat angles P-C4'-P energy: -113.926
tors. eta vs tors. theta energy: -221.184
Dist. restrs. and SS energy: 14.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2453.588303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.588303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.797127 (E_RNA)
where:
Base-Base interactions energy: -1745.575
where: short stacking energy: -710.271
Base-Backbone interact. energy: -1.815
local terms energy: -722.407024
where:
bonds (distance) C4'-P energy: -132.491
bonds (distance) P-C4' energy: -122.533
flat angles C4'-P-C4' energy: -146.655
flat angles P-C4'-P energy: -92.028
tors. eta vs tors. theta energy: -228.700
Dist. restrs. and SS energy: 16.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2343.531380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.531380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.660353 (E_RNA)
where:
Base-Base interactions energy: -1693.794
where: short stacking energy: -698.177
Base-Backbone interact. energy: 5.983
local terms energy: -661.849753
where:
bonds (distance) C4'-P energy: -110.903
bonds (distance) P-C4' energy: -116.884
flat angles C4'-P-C4' energy: -139.896
flat angles P-C4'-P energy: -85.795
tors. eta vs tors. theta energy: -208.372
Dist. restrs. and SS energy: 6.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2266.191950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.191950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.881482 (E_RNA)
where:
Base-Base interactions energy: -1615.645
where: short stacking energy: -635.082
Base-Backbone interact. energy: 0.725
local terms energy: -661.961696
where:
bonds (distance) C4'-P energy: -121.718
bonds (distance) P-C4' energy: -105.304
flat angles C4'-P-C4' energy: -141.097
flat angles P-C4'-P energy: -100.565
tors. eta vs tors. theta energy: -193.278
Dist. restrs. and SS energy: 10.690 (S_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: -2118.644749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.644749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.402495 (E_RNA)
where:
Base-Base interactions energy: -1505.195
where: short stacking energy: -613.982
Base-Backbone interact. energy: 1.974
local terms energy: -627.181357
where:
bonds (distance) C4'-P energy: -103.736
bonds (distance) P-C4' energy: -116.712
flat angles C4'-P-C4' energy: -144.709
flat angles P-C4'-P energy: -85.076
tors. eta vs tors. theta energy: -176.948
Dist. restrs. and SS energy: 11.758 (S_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: 395
Temperature: 1.350000
Total energy: -2066.750719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.750719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.977608 (E_RNA)
where:
Base-Base interactions energy: -1445.283
where: short stacking energy: -579.499
Base-Backbone interact. energy: -3.940
local terms energy: -637.754037
where:
bonds (distance) C4'-P energy: -105.263
bonds (distance) P-C4' energy: -121.811
flat angles C4'-P-C4' energy: -134.487
flat angles P-C4'-P energy: -90.249
tors. eta vs tors. theta energy: -185.945
Dist. restrs. and SS energy: 20.227 (S_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: 396
Temperature: 0.900000
Total energy: -2799.982105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.982105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.035131 (E_RNA)
where:
Base-Base interactions energy: -1992.626
where: short stacking energy: -816.458
Base-Backbone interact. energy: -0.785
local terms energy: -814.624889
where:
bonds (distance) C4'-P energy: -142.434
bonds (distance) P-C4' energy: -132.825
flat angles C4'-P-C4' energy: -158.687
flat angles P-C4'-P energy: -126.798
tors. eta vs tors. theta energy: -253.882
Dist. restrs. and SS energy: 8.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2680.443324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.443324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.122795 (E_RNA)
where:
Base-Base interactions energy: -1883.016
where: short stacking energy: -754.093
Base-Backbone interact. energy: -0.370
local terms energy: -806.736047
where:
bonds (distance) C4'-P energy: -143.628
bonds (distance) P-C4' energy: -150.442
flat angles C4'-P-C4' energy: -163.106
flat angles P-C4'-P energy: -113.824
tors. eta vs tors. theta energy: -235.736
Dist. restrs. and SS energy: 9.679 (S_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: 396
Temperature: 1.000000
Total energy: -2606.955549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.955549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.531525 (E_RNA)
where:
Base-Base interactions energy: -1812.134
where: short stacking energy: -744.880
Base-Backbone interact. energy: -3.732
local terms energy: -795.665780
where:
bonds (distance) C4'-P energy: -153.520
bonds (distance) P-C4' energy: -137.845
flat angles C4'-P-C4' energy: -161.959
flat angles P-C4'-P energy: -110.937
tors. eta vs tors. theta energy: -231.405
Dist. restrs. and SS energy: 4.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2570.046647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.046647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.566710 (E_RNA)
where:
Base-Base interactions energy: -1801.147
where: short stacking energy: -756.434
Base-Backbone interact. energy: -1.213
local terms energy: -770.207004
where:
bonds (distance) C4'-P energy: -140.821
bonds (distance) P-C4' energy: -128.224
flat angles C4'-P-C4' energy: -153.968
flat angles P-C4'-P energy: -117.042
tors. eta vs tors. theta energy: -230.152
Dist. restrs. and SS energy: 2.520 (S_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: 396
Temperature: 1.100000
Total energy: -2496.338973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.338973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.438537 (E_RNA)
where:
Base-Base interactions energy: -1784.623
where: short stacking energy: -731.495
Base-Backbone interact. energy: -0.807
local terms energy: -725.008567
where:
bonds (distance) C4'-P energy: -136.225
bonds (distance) P-C4' energy: -110.079
flat angles C4'-P-C4' energy: -157.901
flat angles P-C4'-P energy: -99.249
tors. eta vs tors. theta energy: -221.554
Dist. restrs. and SS energy: 14.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2445.183770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.183770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.292054 (E_RNA)
where:
Base-Base interactions energy: -1766.423
where: short stacking energy: -703.672
Base-Backbone interact. energy: -2.419
local terms energy: -692.450505
where:
bonds (distance) C4'-P energy: -105.177
bonds (distance) P-C4' energy: -126.349
flat angles C4'-P-C4' energy: -140.873
flat angles P-C4'-P energy: -97.598
tors. eta vs tors. theta energy: -222.453
Dist. restrs. and SS energy: 16.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2326.924012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.924012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.137414 (E_RNA)
where:
Base-Base interactions energy: -1674.274
where: short stacking energy: -673.158
Base-Backbone interact. energy: -1.173
local terms energy: -665.690512
where:
bonds (distance) C4'-P energy: -97.734
bonds (distance) P-C4' energy: -107.127
flat angles C4'-P-C4' energy: -148.539
flat angles P-C4'-P energy: -105.645
tors. eta vs tors. theta energy: -206.645
Dist. restrs. and SS energy: 14.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2284.872833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.872833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.274614 (E_RNA)
where:
Base-Base interactions energy: -1644.008
where: short stacking energy: -640.346
Base-Backbone interact. energy: -0.263
local terms energy: -647.004282
where:
bonds (distance) C4'-P energy: -110.118
bonds (distance) P-C4' energy: -108.811
flat angles C4'-P-C4' energy: -134.531
flat angles P-C4'-P energy: -88.860
tors. eta vs tors. theta energy: -204.684
Dist. restrs. and SS energy: 6.402 (S_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: 396
Temperature: 1.300000
Total energy: -2088.963188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.963188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.502038 (E_RNA)
where:
Base-Base interactions energy: -1484.141
where: short stacking energy: -566.438
Base-Backbone interact. energy: 8.296
local terms energy: -630.657706
where:
bonds (distance) C4'-P energy: -98.400
bonds (distance) P-C4' energy: -121.803
flat angles C4'-P-C4' energy: -129.690
flat angles P-C4'-P energy: -108.777
tors. eta vs tors. theta energy: -171.988
Dist. restrs. and SS energy: 17.539 (S_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: 396
Temperature: 1.350000
Total energy: -2009.607869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.607869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.685754 (E_RNA)
where:
Base-Base interactions energy: -1421.097
where: short stacking energy: -565.651
Base-Backbone interact. energy: -1.672
local terms energy: -599.916065
where:
bonds (distance) C4'-P energy: -114.051
bonds (distance) P-C4' energy: -106.626
flat angles C4'-P-C4' energy: -122.839
flat angles P-C4'-P energy: -71.136
tors. eta vs tors. theta energy: -185.263
Dist. restrs. and SS energy: 13.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2789.698761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.698761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.245707 (E_RNA)
where:
Base-Base interactions energy: -1965.494
where: short stacking energy: -811.563
Base-Backbone interact. energy: -1.499
local terms energy: -830.253110
where:
bonds (distance) C4'-P energy: -135.444
bonds (distance) P-C4' energy: -141.910
flat angles C4'-P-C4' energy: -168.303
flat angles P-C4'-P energy: -134.281
tors. eta vs tors. theta energy: -250.316
Dist. restrs. and SS energy: 7.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2714.313229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.313229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.459809 (E_RNA)
where:
Base-Base interactions energy: -1945.019
where: short stacking energy: -782.372
Base-Backbone interact. energy: -2.644
local terms energy: -776.797150
where:
bonds (distance) C4'-P energy: -138.103
bonds (distance) P-C4' energy: -133.108
flat angles C4'-P-C4' energy: -157.158
flat angles P-C4'-P energy: -105.775
tors. eta vs tors. theta energy: -242.653
Dist. restrs. and SS energy: 10.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2615.602142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.602142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.313904 (E_RNA)
where:
Base-Base interactions energy: -1854.725
where: short stacking energy: -756.537
Base-Backbone interact. energy: -1.695
local terms energy: -765.893981
where:
bonds (distance) C4'-P energy: -115.758
bonds (distance) P-C4' energy: -133.933
flat angles C4'-P-C4' energy: -158.762
flat angles P-C4'-P energy: -118.345
tors. eta vs tors. theta energy: -239.096
Dist. restrs. and SS energy: 6.712 (S_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: 397
Temperature: 1.050000
Total energy: -2574.024585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.024585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.819436 (E_RNA)
where:
Base-Base interactions energy: -1819.573
where: short stacking energy: -740.618
Base-Backbone interact. energy: -4.078
local terms energy: -755.168613
where:
bonds (distance) C4'-P energy: -140.528
bonds (distance) P-C4' energy: -119.953
flat angles C4'-P-C4' energy: -158.905
flat angles P-C4'-P energy: -109.532
tors. eta vs tors. theta energy: -226.251
Dist. restrs. and SS energy: 4.795 (S_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: 397
Temperature: 1.100000
Total energy: -2512.362922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.362922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.680906 (E_RNA)
where:
Base-Base interactions energy: -1788.882
where: short stacking energy: -733.892
Base-Backbone interact. energy: 0.190
local terms energy: -738.988728
where:
bonds (distance) C4'-P energy: -117.308
bonds (distance) P-C4' energy: -117.656
flat angles C4'-P-C4' energy: -156.813
flat angles P-C4'-P energy: -110.202
tors. eta vs tors. theta energy: -237.011
Dist. restrs. and SS energy: 15.318 (S_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: 397
Temperature: 1.150000
Total energy: -2413.256160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.256160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.578932 (E_RNA)
where:
Base-Base interactions energy: -1719.772
where: short stacking energy: -704.317
Base-Backbone interact. energy: -0.327
local terms energy: -700.479179
where:
bonds (distance) C4'-P energy: -124.613
bonds (distance) P-C4' energy: -125.131
flat angles C4'-P-C4' energy: -149.719
flat angles P-C4'-P energy: -83.742
tors. eta vs tors. theta energy: -217.274
Dist. restrs. and SS energy: 7.323 (S_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: 397
Temperature: 1.200000
Total energy: -2331.263551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.263551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.012746 (E_RNA)
where:
Base-Base interactions energy: -1665.902
where: short stacking energy: -654.853
Base-Backbone interact. energy: -1.875
local terms energy: -677.235232
where:
bonds (distance) C4'-P energy: -108.370
bonds (distance) P-C4' energy: -131.116
flat angles C4'-P-C4' energy: -157.310
flat angles P-C4'-P energy: -76.288
tors. eta vs tors. theta energy: -204.151
Dist. restrs. and SS energy: 13.749 (S_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: 397
Temperature: 1.250000
Total energy: -2252.579447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.579447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.491486 (E_RNA)
where:
Base-Base interactions energy: -1634.669
where: short stacking energy: -649.510
Base-Backbone interact. energy: 1.704
local terms energy: -628.525670
where:
bonds (distance) C4'-P energy: -102.962
bonds (distance) P-C4' energy: -111.603
flat angles C4'-P-C4' energy: -127.974
flat angles P-C4'-P energy: -98.899
tors. eta vs tors. theta energy: -187.088
Dist. restrs. and SS energy: 8.912 (S_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: 397
Temperature: 1.300000
Total energy: -2176.722261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.722261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.278346 (E_RNA)
where:
Base-Base interactions energy: -1562.229
where: short stacking energy: -644.129
Base-Backbone interact. energy: -2.495
local terms energy: -621.554192
where:
bonds (distance) C4'-P energy: -96.162
bonds (distance) P-C4' energy: -103.704
flat angles C4'-P-C4' energy: -144.855
flat angles P-C4'-P energy: -76.553
tors. eta vs tors. theta energy: -200.280
Dist. restrs. and SS energy: 9.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1979.820614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.820614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.485819 (E_RNA)
where:
Base-Base interactions energy: -1412.682
where: short stacking energy: -531.979
Base-Backbone interact. energy: -3.329
local terms energy: -580.474997
where:
bonds (distance) C4'-P energy: -115.087
bonds (distance) P-C4' energy: -113.264
flat angles C4'-P-C4' energy: -129.945
flat angles P-C4'-P energy: -62.487
tors. eta vs tors. theta energy: -159.692
Dist. restrs. and SS energy: 16.665 (S_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: 398
Temperature: 0.900000
Total energy: -2796.195133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.195133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.349312 (E_RNA)
where:
Base-Base interactions energy: -1971.634
where: short stacking energy: -808.942
Base-Backbone interact. energy: 1.855
local terms energy: -837.570168
where:
bonds (distance) C4'-P energy: -154.731
bonds (distance) P-C4' energy: -137.543
flat angles C4'-P-C4' energy: -176.254
flat angles P-C4'-P energy: -121.428
tors. eta vs tors. theta energy: -247.614
Dist. restrs. and SS energy: 11.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2739.073207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.073207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.675331 (E_RNA)
where:
Base-Base interactions energy: -1929.334
where: short stacking energy: -813.600
Base-Backbone interact. energy: -2.105
local terms energy: -817.235439
where:
bonds (distance) C4'-P energy: -152.371
bonds (distance) P-C4' energy: -124.476
flat angles C4'-P-C4' energy: -173.455
flat angles P-C4'-P energy: -115.851
tors. eta vs tors. theta energy: -251.082
Dist. restrs. and SS energy: 9.602 (S_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: 398
Temperature: 1.000000
Total energy: -2619.546811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.546811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.455245 (E_RNA)
where:
Base-Base interactions energy: -1847.167
where: short stacking energy: -753.798
Base-Backbone interact. energy: -2.488
local terms energy: -777.800099
where:
bonds (distance) C4'-P energy: -136.929
bonds (distance) P-C4' energy: -120.610
flat angles C4'-P-C4' energy: -169.476
flat angles P-C4'-P energy: -106.607
tors. eta vs tors. theta energy: -244.178
Dist. restrs. and SS energy: 7.908 (S_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: 398
Temperature: 1.050000
Total energy: -2590.581152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.581152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.022299 (E_RNA)
where:
Base-Base interactions energy: -1849.669
where: short stacking energy: -758.928
Base-Backbone interact. energy: -1.252
local terms energy: -744.101199
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -130.990
flat angles C4'-P-C4' energy: -149.498
flat angles P-C4'-P energy: -110.382
tors. eta vs tors. theta energy: -234.713
Dist. restrs. and SS energy: 4.441 (S_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: 398
Temperature: 1.100000
Total energy: -2492.042705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.042705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.502968 (E_RNA)
where:
Base-Base interactions energy: -1773.944
where: short stacking energy: -706.733
Base-Backbone interact. energy: -2.058
local terms energy: -725.500363
where:
bonds (distance) C4'-P energy: -114.433
bonds (distance) P-C4' energy: -133.942
flat angles C4'-P-C4' energy: -150.825
flat angles P-C4'-P energy: -102.855
tors. eta vs tors. theta energy: -223.445
Dist. restrs. and SS energy: 9.460 (S_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: 398
Temperature: 1.150000
Total energy: -2414.602118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.602118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.163058 (E_RNA)
where:
Base-Base interactions energy: -1722.134
where: short stacking energy: -674.753
Base-Backbone interact. energy: 1.421
local terms energy: -701.449230
where:
bonds (distance) C4'-P energy: -125.383
bonds (distance) P-C4' energy: -125.607
flat angles C4'-P-C4' energy: -148.458
flat angles P-C4'-P energy: -83.153
tors. eta vs tors. theta energy: -218.848
Dist. restrs. and SS energy: 7.561 (S_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: 398
Temperature: 1.200000
Total energy: -2340.263571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.263571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.936974 (E_RNA)
where:
Base-Base interactions energy: -1650.955
where: short stacking energy: -671.961
Base-Backbone interact. energy: -5.213
local terms energy: -693.768896
where:
bonds (distance) C4'-P energy: -114.512
bonds (distance) P-C4' energy: -128.436
flat angles C4'-P-C4' energy: -143.872
flat angles P-C4'-P energy: -92.548
tors. eta vs tors. theta energy: -214.401
Dist. restrs. and SS energy: 9.673 (S_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: 398
Temperature: 1.250000
Total energy: -2239.092417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.092417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.832141 (E_RNA)
where:
Base-Base interactions energy: -1607.036
where: short stacking energy: -658.655
Base-Backbone interact. energy: 0.905
local terms energy: -641.701729
where:
bonds (distance) C4'-P energy: -119.057
bonds (distance) P-C4' energy: -103.814
flat angles C4'-P-C4' energy: -131.235
flat angles P-C4'-P energy: -95.279
tors. eta vs tors. theta energy: -192.317
Dist. restrs. and SS energy: 8.740 (S_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: 398
Temperature: 1.300000
Total energy: -2078.517829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.517829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.015233 (E_RNA)
where:
Base-Base interactions energy: -1512.496
where: short stacking energy: -579.928
Base-Backbone interact. energy: -1.438
local terms energy: -579.081176
where:
bonds (distance) C4'-P energy: -85.379
bonds (distance) P-C4' energy: -118.694
flat angles C4'-P-C4' energy: -120.667
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -182.739
Dist. restrs. and SS energy: 14.497 (S_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: 398
Temperature: 1.350000
Total energy: -1960.501784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.501784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.786716 (E_RNA)
where:
Base-Base interactions energy: -1408.446
where: short stacking energy: -591.934
Base-Backbone interact. energy: -4.167
local terms energy: -576.173844
where:
bonds (distance) C4'-P energy: -89.150
bonds (distance) P-C4' energy: -108.014
flat angles C4'-P-C4' energy: -130.878
flat angles P-C4'-P energy: -72.247
tors. eta vs tors. theta energy: -175.885
Dist. restrs. and SS energy: 28.285 (S_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: 399
Temperature: 0.900000
Total energy: -2808.328532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.328532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.951481 (E_RNA)
where:
Base-Base interactions energy: -2008.826
where: short stacking energy: -822.411
Base-Backbone interact. energy: -2.700
local terms energy: -803.425163
where:
bonds (distance) C4'-P energy: -133.866
bonds (distance) P-C4' energy: -132.888
flat angles C4'-P-C4' energy: -165.903
flat angles P-C4'-P energy: -119.916
tors. eta vs tors. theta energy: -250.852
Dist. restrs. and SS energy: 6.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2699.253636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.253636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.027147 (E_RNA)
where:
Base-Base interactions energy: -1901.181
where: short stacking energy: -792.355
Base-Backbone interact. energy: -1.712
local terms energy: -802.134566
where:
bonds (distance) C4'-P energy: -134.890
bonds (distance) P-C4' energy: -135.645
flat angles C4'-P-C4' energy: -169.576
flat angles P-C4'-P energy: -115.840
tors. eta vs tors. theta energy: -246.184
Dist. restrs. and SS energy: 5.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2596.146596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.146596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.853051 (E_RNA)
where:
Base-Base interactions energy: -1829.045
where: short stacking energy: -746.319
Base-Backbone interact. energy: -1.911
local terms energy: -771.897181
where:
bonds (distance) C4'-P energy: -126.077
bonds (distance) P-C4' energy: -131.712
flat angles C4'-P-C4' energy: -162.883
flat angles P-C4'-P energy: -115.001
tors. eta vs tors. theta energy: -236.225
Dist. restrs. and SS energy: 6.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2583.705461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.705461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.503847 (E_RNA)
where:
Base-Base interactions energy: -1815.868
where: short stacking energy: -737.246
Base-Backbone interact. energy: -2.709
local terms energy: -768.926671
where:
bonds (distance) C4'-P energy: -126.857
bonds (distance) P-C4' energy: -143.818
flat angles C4'-P-C4' energy: -149.027
flat angles P-C4'-P energy: -112.356
tors. eta vs tors. theta energy: -236.869
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2493.963783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.963783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.066351 (E_RNA)
where:
Base-Base interactions energy: -1784.692
where: short stacking energy: -725.894
Base-Backbone interact. energy: -3.521
local terms energy: -715.853300
where:
bonds (distance) C4'-P energy: -108.677
bonds (distance) P-C4' energy: -114.936
flat angles C4'-P-C4' energy: -161.318
flat angles P-C4'-P energy: -106.634
tors. eta vs tors. theta energy: -224.289
Dist. restrs. and SS energy: 10.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2408.084226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.084226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.505095 (E_RNA)
where:
Base-Base interactions energy: -1696.867
where: short stacking energy: -679.297
Base-Backbone interact. energy: -1.773
local terms energy: -714.864825
where:
bonds (distance) C4'-P energy: -126.428
bonds (distance) P-C4' energy: -121.839
flat angles C4'-P-C4' energy: -147.132
flat angles P-C4'-P energy: -109.519
tors. eta vs tors. theta energy: -209.947
Dist. restrs. and SS energy: 5.421 (S_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: 399
Temperature: 1.200000
Total energy: -2311.813862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.813862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.799362 (E_RNA)
where:
Base-Base interactions energy: -1661.066
where: short stacking energy: -676.277
Base-Backbone interact. energy: -0.558
local terms energy: -656.175385
where:
bonds (distance) C4'-P energy: -117.553
bonds (distance) P-C4' energy: -103.889
flat angles C4'-P-C4' energy: -146.092
flat angles P-C4'-P energy: -92.854
tors. eta vs tors. theta energy: -195.787
Dist. restrs. and SS energy: 5.986 (S_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: 399
Temperature: 1.250000
Total energy: -2268.998945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.998945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.642057 (E_RNA)
where:
Base-Base interactions energy: -1625.360
where: short stacking energy: -645.100
Base-Backbone interact. energy: -3.436
local terms energy: -644.845929
where:
bonds (distance) C4'-P energy: -108.862
bonds (distance) P-C4' energy: -104.377
flat angles C4'-P-C4' energy: -145.048
flat angles P-C4'-P energy: -87.892
tors. eta vs tors. theta energy: -198.666
Dist. restrs. and SS energy: 4.643 (S_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: 399
Temperature: 1.300000
Total energy: -2111.053301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.053301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.023179 (E_RNA)
where:
Base-Base interactions energy: -1535.683
where: short stacking energy: -600.333
Base-Backbone interact. energy: -2.482
local terms energy: -582.857806
where:
bonds (distance) C4'-P energy: -92.389
bonds (distance) P-C4' energy: -95.284
flat angles C4'-P-C4' energy: -141.128
flat angles P-C4'-P energy: -78.698
tors. eta vs tors. theta energy: -175.360
Dist. restrs. and SS energy: 9.970 (S_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: 399
Temperature: 1.350000
Total energy: -2047.728429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.728429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.772811 (E_RNA)
where:
Base-Base interactions energy: -1460.941
where: short stacking energy: -589.890
Base-Backbone interact. energy: 1.446
local terms energy: -601.278590
where:
bonds (distance) C4'-P energy: -94.614
bonds (distance) P-C4' energy: -108.620
flat angles C4'-P-C4' energy: -140.356
flat angles P-C4'-P energy: -85.108
tors. eta vs tors. theta energy: -172.580
Dist. restrs. and SS energy: 13.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2796.958341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.958341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.299301 (E_RNA)
where:
Base-Base interactions energy: -2002.150
where: short stacking energy: -800.451
Base-Backbone interact. energy: 0.071
local terms energy: -803.219899
where:
bonds (distance) C4'-P energy: -144.133
bonds (distance) P-C4' energy: -129.709
flat angles C4'-P-C4' energy: -167.708
flat angles P-C4'-P energy: -115.114
tors. eta vs tors. theta energy: -246.556
Dist. restrs. and SS energy: 8.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2684.079140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.079140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.661038 (E_RNA)
where:
Base-Base interactions energy: -1892.331
where: short stacking energy: -779.193
Base-Backbone interact. energy: -2.603
local terms energy: -797.726980
where:
bonds (distance) C4'-P energy: -141.481
bonds (distance) P-C4' energy: -139.754
flat angles C4'-P-C4' energy: -161.920
flat angles P-C4'-P energy: -116.408
tors. eta vs tors. theta energy: -238.163
Dist. restrs. and SS energy: 8.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2661.604516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.604516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.978011 (E_RNA)
where:
Base-Base interactions energy: -1860.051
where: short stacking energy: -774.885
Base-Backbone interact. energy: 1.346
local terms energy: -807.273601
where:
bonds (distance) C4'-P energy: -135.850
bonds (distance) P-C4' energy: -149.190
flat angles C4'-P-C4' energy: -158.766
flat angles P-C4'-P energy: -121.129
tors. eta vs tors. theta energy: -242.339
Dist. restrs. and SS energy: 4.373 (S_DIST_RNA)
chem. 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: -2577.049821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.049821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.890576 (E_RNA)
where:
Base-Base interactions energy: -1838.808
where: short stacking energy: -743.205
Base-Backbone interact. energy: -3.299
local terms energy: -743.783746
where:
bonds (distance) C4'-P energy: -121.459
bonds (distance) P-C4' energy: -133.666
flat angles C4'-P-C4' energy: -159.236
flat angles P-C4'-P energy: -106.300
tors. eta vs tors. theta energy: -223.123
Dist. restrs. and SS energy: 8.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2470.572847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.572847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.012359 (E_RNA)
where:
Base-Base interactions energy: -1758.424
where: short stacking energy: -696.037
Base-Backbone interact. energy: 0.322
local terms energy: -721.910415
where:
bonds (distance) C4'-P energy: -137.624
bonds (distance) P-C4' energy: -117.592
flat angles C4'-P-C4' energy: -141.240
flat angles P-C4'-P energy: -108.148
tors. eta vs tors. theta energy: -217.307
Dist. restrs. and SS energy: 9.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2439.552023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.552023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.727866 (E_RNA)
where:
Base-Base interactions energy: -1771.478
where: short stacking energy: -732.507
Base-Backbone interact. energy: 2.536
local terms energy: -682.786124
where:
bonds (distance) C4'-P energy: -116.422
bonds (distance) P-C4' energy: -92.920
flat angles C4'-P-C4' energy: -142.849
flat angles P-C4'-P energy: -104.513
tors. eta vs tors. theta energy: -226.082
Dist. restrs. and SS energy: 12.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2308.031474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.031474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.872366 (E_RNA)
where:
Base-Base interactions energy: -1644.990
where: short stacking energy: -661.210
Base-Backbone interact. energy: -1.663
local terms energy: -667.219409
where:
bonds (distance) C4'-P energy: -126.254
bonds (distance) P-C4' energy: -117.806
flat angles C4'-P-C4' energy: -142.494
flat angles P-C4'-P energy: -80.785
tors. eta vs tors. theta energy: -199.881
Dist. restrs. and SS energy: 5.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2237.907030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.907030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.913889 (E_RNA)
where:
Base-Base interactions energy: -1614.483
where: short stacking energy: -648.504
Base-Backbone interact. energy: -1.569
local terms energy: -628.862259
where:
bonds (distance) C4'-P energy: -114.111
bonds (distance) P-C4' energy: -111.880
flat angles C4'-P-C4' energy: -128.130
flat angles P-C4'-P energy: -72.537
tors. eta vs tors. theta energy: -202.204
Dist. restrs. and SS energy: 7.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -2097.664205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.664205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.537176 (E_RNA)
where:
Base-Base interactions energy: -1503.862
where: short stacking energy: -607.434
Base-Backbone interact. energy: 4.469
local terms energy: -614.143811
where:
bonds (distance) C4'-P energy: -123.297
bonds (distance) P-C4' energy: -106.590
flat angles C4'-P-C4' energy: -127.104
flat angles P-C4'-P energy: -85.457
tors. eta vs tors. theta energy: -171.696
Dist. restrs. and SS energy: 15.873 (S_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: 400
Temperature: 1.350000
Total energy: -2068.373707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.373707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.568480 (E_RNA)
where:
Base-Base interactions energy: -1491.394
where: short stacking energy: -589.881
Base-Backbone interact. energy: -1.643
local terms energy: -582.531543
where:
bonds (distance) C4'-P energy: -109.447
bonds (distance) P-C4' energy: -102.948
flat angles C4'-P-C4' energy: -127.676
flat angles P-C4'-P energy: -68.348
tors. eta vs tors. theta energy: -174.113
Dist. restrs. and SS energy: 7.195 (S_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: 401
Temperature: 0.900000
Total energy: -2802.662859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.662859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.433151 (E_RNA)
where:
Base-Base interactions energy: -1987.743
where: short stacking energy: -818.905
Base-Backbone interact. energy: -0.219
local terms energy: -823.471122
where:
bonds (distance) C4'-P energy: -137.722
bonds (distance) P-C4' energy: -142.013
flat angles C4'-P-C4' energy: -170.996
flat angles P-C4'-P energy: -115.339
tors. eta vs tors. theta energy: -257.402
Dist. restrs. and SS energy: 8.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2728.213005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.213005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.756499 (E_RNA)
where:
Base-Base interactions energy: -1910.339
where: short stacking energy: -789.169
Base-Backbone interact. energy: -1.171
local terms energy: -827.246420
where:
bonds (distance) C4'-P energy: -146.669
bonds (distance) P-C4' energy: -139.459
flat angles C4'-P-C4' energy: -164.879
flat angles P-C4'-P energy: -122.096
tors. eta vs tors. theta energy: -254.144
Dist. restrs. and SS energy: 10.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2647.077939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.077939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.227789 (E_RNA)
where:
Base-Base interactions energy: -1872.933
where: short stacking energy: -779.824
Base-Backbone interact. energy: 1.418
local terms energy: -778.712294
where:
bonds (distance) C4'-P energy: -137.801
bonds (distance) P-C4' energy: -135.420
flat angles C4'-P-C4' energy: -147.807
flat angles P-C4'-P energy: -121.886
tors. eta vs tors. theta energy: -235.798
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. 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: -2592.959313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.959313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.344766 (E_RNA)
where:
Base-Base interactions energy: -1830.801
where: short stacking energy: -753.036
Base-Backbone interact. energy: -3.277
local terms energy: -766.266871
where:
bonds (distance) C4'-P energy: -136.098
bonds (distance) P-C4' energy: -131.325
flat angles C4'-P-C4' energy: -148.602
flat angles P-C4'-P energy: -118.287
tors. eta vs tors. theta energy: -231.955
Dist. restrs. and SS energy: 7.385 (S_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: 401
Temperature: 1.100000
Total energy: -2460.853296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.853296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.095078 (E_RNA)
where:
Base-Base interactions energy: -1735.489
where: short stacking energy: -721.898
Base-Backbone interact. energy: -0.125
local terms energy: -732.481076
where:
bonds (distance) C4'-P energy: -123.682
bonds (distance) P-C4' energy: -142.138
flat angles C4'-P-C4' energy: -143.882
flat angles P-C4'-P energy: -95.012
tors. eta vs tors. theta energy: -227.766
Dist. restrs. and SS energy: 7.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2361.388269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.388269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.448959 (E_RNA)
where:
Base-Base interactions energy: -1688.166
where: short stacking energy: -678.470
Base-Backbone interact. energy: 2.048
local terms energy: -681.331854
where:
bonds (distance) C4'-P energy: -107.882
bonds (distance) P-C4' energy: -125.263
flat angles C4'-P-C4' energy: -139.935
flat angles P-C4'-P energy: -97.360
tors. eta vs tors. theta energy: -210.892
Dist. restrs. and SS energy: 6.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2377.706619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.706619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.958189 (E_RNA)
where:
Base-Base interactions energy: -1707.537
where: short stacking energy: -681.652
Base-Backbone interact. energy: -2.033
local terms energy: -681.387731
where:
bonds (distance) C4'-P energy: -123.608
bonds (distance) P-C4' energy: -111.848
flat angles C4'-P-C4' energy: -147.830
flat angles P-C4'-P energy: -94.338
tors. eta vs tors. theta energy: -203.764
Dist. restrs. and SS energy: 13.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2239.675729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.675729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.390269 (E_RNA)
where:
Base-Base interactions energy: -1598.575
where: short stacking energy: -643.636
Base-Backbone interact. energy: -3.096
local terms energy: -648.719268
where:
bonds (distance) C4'-P energy: -95.563
bonds (distance) P-C4' energy: -118.103
flat angles C4'-P-C4' energy: -149.205
flat angles P-C4'-P energy: -91.845
tors. eta vs tors. theta energy: -194.003
Dist. restrs. and SS energy: 10.715 (S_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: -2137.775508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.775508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.663620 (E_RNA)
where:
Base-Base interactions energy: -1497.268
where: short stacking energy: -614.998
Base-Backbone interact. energy: -1.828
local terms energy: -649.567522
where:
bonds (distance) C4'-P energy: -103.941
bonds (distance) P-C4' energy: -123.633
flat angles C4'-P-C4' energy: -142.805
flat angles P-C4'-P energy: -98.563
tors. eta vs tors. theta energy: -180.626
Dist. restrs. and SS energy: 10.888 (S_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: 401
Temperature: 1.350000
Total energy: -2134.065196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.065196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.609277 (E_RNA)
where:
Base-Base interactions energy: -1550.410
where: short stacking energy: -600.627
Base-Backbone interact. energy: 2.728
local terms energy: -597.928030
where:
bonds (distance) C4'-P energy: -94.526
bonds (distance) P-C4' energy: -102.545
flat angles C4'-P-C4' energy: -133.212
flat angles P-C4'-P energy: -86.916
tors. eta vs tors. theta energy: -180.729
Dist. restrs. and SS energy: 11.544 (S_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: 402
Temperature: 0.900000
Total energy: -2813.543507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.543507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.028371 (E_RNA)
where:
Base-Base interactions energy: -1989.338
where: short stacking energy: -807.570
Base-Backbone interact. energy: -2.095
local terms energy: -831.594879
where:
bonds (distance) C4'-P energy: -139.305
bonds (distance) P-C4' energy: -144.837
flat angles C4'-P-C4' energy: -170.355
flat angles P-C4'-P energy: -119.986
tors. eta vs tors. theta energy: -257.112
Dist. restrs. and SS energy: 9.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2736.229366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.229366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.407711 (E_RNA)
where:
Base-Base interactions energy: -1920.456
where: short stacking energy: -797.112
Base-Backbone interact. energy: -1.720
local terms energy: -824.231757
where:
bonds (distance) C4'-P energy: -143.365
bonds (distance) P-C4' energy: -141.962
flat angles C4'-P-C4' energy: -172.520
flat angles P-C4'-P energy: -119.070
tors. eta vs tors. theta energy: -247.315
Dist. restrs. and SS energy: 10.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2618.559507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.559507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.954052 (E_RNA)
where:
Base-Base interactions energy: -1854.339
where: short stacking energy: -781.108
Base-Backbone interact. energy: -0.714
local terms energy: -765.900965
where:
bonds (distance) C4'-P energy: -131.831
bonds (distance) P-C4' energy: -137.300
flat angles C4'-P-C4' energy: -159.151
flat angles P-C4'-P energy: -101.178
tors. eta vs tors. theta energy: -236.441
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. 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: -2578.227769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.227769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.384718 (E_RNA)
where:
Base-Base interactions energy: -1852.031
where: short stacking energy: -751.927
Base-Backbone interact. energy: -2.390
local terms energy: -729.964033
where:
bonds (distance) C4'-P energy: -130.259
bonds (distance) P-C4' energy: -117.531
flat angles C4'-P-C4' energy: -156.396
flat angles P-C4'-P energy: -90.619
tors. eta vs tors. theta energy: -235.158
Dist. restrs. and SS energy: 6.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2540.495129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.495129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.364894 (E_RNA)
where:
Base-Base interactions energy: -1807.188
where: short stacking energy: -720.328
Base-Backbone interact. energy: -2.787
local terms energy: -737.390592
where:
bonds (distance) C4'-P energy: -120.194
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -150.732
flat angles P-C4'-P energy: -113.212
tors. eta vs tors. theta energy: -230.793
Dist. restrs. and SS energy: 6.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2364.052702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.052702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.325904 (E_RNA)
where:
Base-Base interactions energy: -1669.153
where: short stacking energy: -666.308
Base-Backbone interact. energy: -0.739
local terms energy: -699.433599
where:
bonds (distance) C4'-P energy: -119.558
bonds (distance) P-C4' energy: -131.265
flat angles C4'-P-C4' energy: -141.670
flat angles P-C4'-P energy: -98.861
tors. eta vs tors. theta energy: -208.079
Dist. restrs. and SS energy: 5.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2343.301343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.301343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.401587 (E_RNA)
where:
Base-Base interactions energy: -1651.971
where: short stacking energy: -644.094
Base-Backbone interact. energy: 1.195
local terms energy: -708.625992
where:
bonds (distance) C4'-P energy: -123.957
bonds (distance) P-C4' energy: -121.797
flat angles C4'-P-C4' energy: -152.701
flat angles P-C4'-P energy: -103.725
tors. eta vs tors. theta energy: -206.446
Dist. restrs. and SS energy: 16.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2208.220257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.220257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.331048 (E_RNA)
where:
Base-Base interactions energy: -1554.834
where: short stacking energy: -624.016
Base-Backbone interact. energy: -2.199
local terms energy: -664.298170
where:
bonds (distance) C4'-P energy: -112.573
bonds (distance) P-C4' energy: -121.117
flat angles C4'-P-C4' energy: -138.209
flat angles P-C4'-P energy: -92.778
tors. eta vs tors. theta energy: -199.620
Dist. restrs. and SS energy: 13.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -2058.132586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.132586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.874027 (E_RNA)
where:
Base-Base interactions energy: -1478.738
where: short stacking energy: -588.341
Base-Backbone interact. energy: -0.390
local terms energy: -597.746429
where:
bonds (distance) C4'-P energy: -99.673
bonds (distance) P-C4' energy: -110.603
flat angles C4'-P-C4' energy: -134.047
flat angles P-C4'-P energy: -80.451
tors. eta vs tors. theta energy: -172.972
Dist. restrs. and SS energy: 18.741 (S_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: 402
Temperature: 1.350000
Total energy: -2124.583491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.583491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.452996 (E_RNA)
where:
Base-Base interactions energy: -1516.187
where: short stacking energy: -587.246
Base-Backbone interact. energy: 2.996
local terms energy: -626.262359
where:
bonds (distance) C4'-P energy: -105.256
bonds (distance) P-C4' energy: -113.867
flat angles C4'-P-C4' energy: -128.276
flat angles P-C4'-P energy: -84.668
tors. eta vs tors. theta energy: -194.195
Dist. restrs. and SS energy: 14.870 (S_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: 403
Temperature: 0.900000
Total energy: -2793.171488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.171488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.852076 (E_RNA)
where:
Base-Base interactions energy: -1975.712
where: short stacking energy: -820.619
Base-Backbone interact. energy: -0.447
local terms energy: -824.693308
where:
bonds (distance) C4'-P energy: -146.303
bonds (distance) P-C4' energy: -142.774
flat angles C4'-P-C4' energy: -166.721
flat angles P-C4'-P energy: -117.522
tors. eta vs tors. theta energy: -251.373
Dist. restrs. and SS energy: 7.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2711.132217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.132217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.866333 (E_RNA)
where:
Base-Base interactions energy: -1909.681
where: short stacking energy: -775.432
Base-Backbone interact. energy: -1.908
local terms energy: -808.276865
where:
bonds (distance) C4'-P energy: -148.104
bonds (distance) P-C4' energy: -140.640
flat angles C4'-P-C4' energy: -154.730
flat angles P-C4'-P energy: -122.145
tors. eta vs tors. theta energy: -242.658
Dist. restrs. and SS energy: 8.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2635.522807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.522807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.102571 (E_RNA)
where:
Base-Base interactions energy: -1881.081
where: short stacking energy: -783.462
Base-Backbone interact. energy: -2.262
local terms energy: -754.759455
where:
bonds (distance) C4'-P energy: -120.072
bonds (distance) P-C4' energy: -127.127
flat angles C4'-P-C4' energy: -154.045
flat angles P-C4'-P energy: -117.405
tors. eta vs tors. theta energy: -236.109
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2551.154797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.154797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.174052 (E_RNA)
where:
Base-Base interactions energy: -1799.062
where: short stacking energy: -734.236
Base-Backbone interact. energy: -2.954
local terms energy: -755.158003
where:
bonds (distance) C4'-P energy: -126.052
bonds (distance) P-C4' energy: -128.287
flat angles C4'-P-C4' energy: -160.179
flat angles P-C4'-P energy: -109.826
tors. eta vs tors. theta energy: -230.814
Dist. restrs. and SS energy: 6.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2491.299065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.299065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.375963 (E_RNA)
where:
Base-Base interactions energy: -1758.208
where: short stacking energy: -711.640
Base-Backbone interact. energy: -2.861
local terms energy: -735.306606
where:
bonds (distance) C4'-P energy: -98.855
bonds (distance) P-C4' energy: -141.974
flat angles C4'-P-C4' energy: -172.392
flat angles P-C4'-P energy: -104.342
tors. eta vs tors. theta energy: -217.743
Dist. restrs. and SS energy: 5.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2427.352020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.352020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.880847 (E_RNA)
where:
Base-Base interactions energy: -1729.993
where: short stacking energy: -722.680
Base-Backbone interact. energy: -0.869
local terms energy: -703.018561
where:
bonds (distance) C4'-P energy: -119.694
bonds (distance) P-C4' energy: -115.068
flat angles C4'-P-C4' energy: -149.069
flat angles P-C4'-P energy: -104.018
tors. eta vs tors. theta energy: -215.170
Dist. restrs. and SS energy: 6.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2316.045105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.045105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.534416 (E_RNA)
where:
Base-Base interactions energy: -1638.363
where: short stacking energy: -663.847
Base-Backbone interact. energy: -1.979
local terms energy: -683.192607
where:
bonds (distance) C4'-P energy: -130.929
bonds (distance) P-C4' energy: -105.412
flat angles C4'-P-C4' energy: -153.037
flat angles P-C4'-P energy: -92.696
tors. eta vs tors. theta energy: -201.118
Dist. restrs. and SS energy: 7.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -2177.756707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.756707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.612621 (E_RNA)
where:
Base-Base interactions energy: -1585.882
where: short stacking energy: -627.189
Base-Backbone interact. energy: 5.256
local terms energy: -607.986041
where:
bonds (distance) C4'-P energy: -108.893
bonds (distance) P-C4' energy: -93.884
flat angles C4'-P-C4' energy: -132.908
flat angles P-C4'-P energy: -94.119
tors. eta vs tors. theta energy: -178.183
Dist. restrs. and SS energy: 10.856 (S_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: 403
Temperature: 1.300000
Total energy: -2134.019632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.019632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.863249 (E_RNA)
where:
Base-Base interactions energy: -1525.268
where: short stacking energy: -616.398
Base-Backbone interact. energy: -1.734
local terms energy: -612.861776
where:
bonds (distance) C4'-P energy: -112.750
bonds (distance) P-C4' energy: -117.279
flat angles C4'-P-C4' energy: -129.494
flat angles P-C4'-P energy: -83.239
tors. eta vs tors. theta energy: -170.100
Dist. restrs. and SS energy: 5.844 (S_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: 403
Temperature: 1.350000
Total energy: -2034.306966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.306966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.456513 (E_RNA)
where:
Base-Base interactions energy: -1471.752
where: short stacking energy: -575.257
Base-Backbone interact. energy: 0.473
local terms energy: -579.176973
where:
bonds (distance) C4'-P energy: -102.811
bonds (distance) P-C4' energy: -105.786
flat angles C4'-P-C4' energy: -121.589
flat angles P-C4'-P energy: -78.475
tors. eta vs tors. theta energy: -170.517
Dist. restrs. and SS energy: 16.150 (S_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: 404
Temperature: 0.900000
Total energy: -2805.465128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.465128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.019648 (E_RNA)
where:
Base-Base interactions energy: -2007.055
where: short stacking energy: -808.472
Base-Backbone interact. energy: -2.700
local terms energy: -804.264334
where:
bonds (distance) C4'-P energy: -133.573
bonds (distance) P-C4' energy: -136.534
flat angles C4'-P-C4' energy: -167.900
flat angles P-C4'-P energy: -121.259
tors. eta vs tors. theta energy: -244.998
Dist. restrs. and SS energy: 8.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2703.242496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.242496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.118456 (E_RNA)
where:
Base-Base interactions energy: -1909.887
where: short stacking energy: -788.712
Base-Backbone interact. energy: -2.556
local terms energy: -799.675312
where:
bonds (distance) C4'-P energy: -140.832
bonds (distance) P-C4' energy: -131.623
flat angles C4'-P-C4' energy: -173.520
flat angles P-C4'-P energy: -106.346
tors. eta vs tors. theta energy: -247.356
Dist. restrs. and SS energy: 8.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2586.114605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.114605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.580600 (E_RNA)
where:
Base-Base interactions energy: -1830.360
where: short stacking energy: -753.040
Base-Backbone interact. energy: 1.511
local terms energy: -763.731045
where:
bonds (distance) C4'-P energy: -124.445
bonds (distance) P-C4' energy: -145.151
flat angles C4'-P-C4' energy: -153.760
flat angles P-C4'-P energy: -100.632
tors. eta vs tors. theta energy: -239.743
Dist. restrs. and SS energy: 6.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2551.005734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.005734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.383549 (E_RNA)
where:
Base-Base interactions energy: -1811.715
where: short stacking energy: -734.076
Base-Backbone interact. energy: -0.255
local terms energy: -745.413630
where:
bonds (distance) C4'-P energy: -131.755
bonds (distance) P-C4' energy: -127.056
flat angles C4'-P-C4' energy: -151.534
flat angles P-C4'-P energy: -102.393
tors. eta vs tors. theta energy: -232.676
Dist. restrs. and SS energy: 6.378 (S_DIST_RNA)
chem. 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: -2549.913425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.913425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.004273 (E_RNA)
where:
Base-Base interactions energy: -1800.328
where: short stacking energy: -749.431
Base-Backbone interact. energy: -0.851
local terms energy: -756.825195
where:
bonds (distance) C4'-P energy: -114.170
bonds (distance) P-C4' energy: -144.308
flat angles C4'-P-C4' energy: -166.355
flat angles P-C4'-P energy: -103.901
tors. eta vs tors. theta energy: -228.091
Dist. restrs. and SS energy: 8.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2450.562082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.562082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.931300 (E_RNA)
where:
Base-Base interactions energy: -1702.570
where: short stacking energy: -697.613
Base-Backbone interact. energy: -1.380
local terms energy: -752.981810
where:
bonds (distance) C4'-P energy: -146.394
bonds (distance) P-C4' energy: -127.766
flat angles C4'-P-C4' energy: -154.408
flat angles P-C4'-P energy: -98.416
tors. eta vs tors. theta energy: -225.998
Dist. restrs. and SS energy: 6.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2330.038061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.038061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.986178 (E_RNA)
where:
Base-Base interactions energy: -1646.995
where: short stacking energy: -679.545
Base-Backbone interact. energy: 2.871
local terms energy: -691.862661
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -142.495
flat angles C4'-P-C4' energy: -141.930
flat angles P-C4'-P energy: -81.640
tors. eta vs tors. theta energy: -203.501
Dist. restrs. and SS energy: 5.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2224.746245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.746245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.777991 (E_RNA)
where:
Base-Base interactions energy: -1611.932
where: short stacking energy: -670.975
Base-Backbone interact. energy: -3.774
local terms energy: -618.072189
where:
bonds (distance) C4'-P energy: -93.447
bonds (distance) P-C4' energy: -99.219
flat angles C4'-P-C4' energy: -135.891
flat angles P-C4'-P energy: -87.543
tors. eta vs tors. theta energy: -201.972
Dist. restrs. and SS energy: 9.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -2111.556161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.556161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.418722 (E_RNA)
where:
Base-Base interactions energy: -1500.437
where: short stacking energy: -593.357
Base-Backbone interact. energy: -1.114
local terms energy: -618.867912
where:
bonds (distance) C4'-P energy: -123.872
bonds (distance) P-C4' energy: -106.503
flat angles C4'-P-C4' energy: -130.829
flat angles P-C4'-P energy: -79.552
tors. eta vs tors. theta energy: -178.112
Dist. restrs. and SS energy: 8.863 (S_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: -2088.777946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.777946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.059816 (E_RNA)
where:
Base-Base interactions energy: -1490.592
where: short stacking energy: -610.255
Base-Backbone interact. energy: 2.529
local terms energy: -612.996424
where:
bonds (distance) C4'-P energy: -104.556
bonds (distance) P-C4' energy: -105.412
flat angles C4'-P-C4' energy: -124.758
flat angles P-C4'-P energy: -93.707
tors. eta vs tors. theta energy: -184.563
Dist. restrs. and SS energy: 12.282 (S_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: 405
Temperature: 0.900000
Total energy: -2821.626918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.626918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.101774 (E_RNA)
where:
Base-Base interactions energy: -2003.852
where: short stacking energy: -812.267
Base-Backbone interact. energy: -1.901
local terms energy: -823.348730
where:
bonds (distance) C4'-P energy: -148.115
bonds (distance) P-C4' energy: -140.282
flat angles C4'-P-C4' energy: -159.835
flat angles P-C4'-P energy: -126.376
tors. eta vs tors. theta energy: -248.741
Dist. restrs. and SS energy: 7.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2695.493331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.493331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.127941 (E_RNA)
where:
Base-Base interactions energy: -1901.515
where: short stacking energy: -765.166
Base-Backbone interact. energy: 1.281
local terms energy: -801.894126
where:
bonds (distance) C4'-P energy: -135.239
bonds (distance) P-C4' energy: -148.101
flat angles C4'-P-C4' energy: -164.280
flat angles P-C4'-P energy: -115.953
tors. eta vs tors. theta energy: -238.320
Dist. restrs. and SS energy: 6.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2581.553507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.553507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.005653 (E_RNA)
where:
Base-Base interactions energy: -1799.031
where: short stacking energy: -745.491
Base-Backbone interact. energy: -2.897
local terms energy: -786.077741
where:
bonds (distance) C4'-P energy: -132.140
bonds (distance) P-C4' energy: -139.212
flat angles C4'-P-C4' energy: -162.908
flat angles P-C4'-P energy: -112.245
tors. eta vs tors. theta energy: -239.573
Dist. restrs. and SS energy: 6.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2555.088620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.088620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.146272 (E_RNA)
where:
Base-Base interactions energy: -1838.519
where: short stacking energy: -749.652
Base-Backbone interact. energy: 2.226
local terms energy: -725.853339
where:
bonds (distance) C4'-P energy: -120.975
bonds (distance) P-C4' energy: -113.639
flat angles C4'-P-C4' energy: -159.160
flat angles P-C4'-P energy: -105.940
tors. eta vs tors. theta energy: -226.139
Dist. restrs. and SS energy: 7.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2462.745354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.745354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.098163 (E_RNA)
where:
Base-Base interactions energy: -1740.282
where: short stacking energy: -716.684
Base-Backbone interact. energy: -3.618
local terms energy: -725.198269
where:
bonds (distance) C4'-P energy: -103.977
bonds (distance) P-C4' energy: -126.777
flat angles C4'-P-C4' energy: -168.084
flat angles P-C4'-P energy: -96.549
tors. eta vs tors. theta energy: -229.812
Dist. restrs. and SS energy: 6.353 (S_DIST_RNA)
chem. 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: -2412.527437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.527437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.632352 (E_RNA)
where:
Base-Base interactions energy: -1703.189
where: short stacking energy: -680.339
Base-Backbone interact. energy: -1.466
local terms energy: -714.977243
where:
bonds (distance) C4'-P energy: -107.278
bonds (distance) P-C4' energy: -138.689
flat angles C4'-P-C4' energy: -151.029
flat angles P-C4'-P energy: -104.656
tors. eta vs tors. theta energy: -213.324
Dist. restrs. and SS energy: 7.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2349.078646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.078646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.107093 (E_RNA)
where:
Base-Base interactions energy: -1678.930
where: short stacking energy: -688.178
Base-Backbone interact. energy: -1.225
local terms energy: -673.951810
where:
bonds (distance) C4'-P energy: -99.582
bonds (distance) P-C4' energy: -122.036
flat angles C4'-P-C4' energy: -148.966
flat angles P-C4'-P energy: -94.573
tors. eta vs tors. theta energy: -208.794
Dist. restrs. and SS energy: 5.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -2204.420768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.420768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.813515 (E_RNA)
where:
Base-Base interactions energy: -1598.316
where: short stacking energy: -639.272
Base-Backbone interact. energy: -0.526
local terms energy: -610.971562
where:
bonds (distance) C4'-P energy: -81.523
bonds (distance) P-C4' energy: -116.665
flat angles C4'-P-C4' energy: -129.645
flat angles P-C4'-P energy: -94.172
tors. eta vs tors. theta energy: -188.967
Dist. restrs. and SS energy: 5.393 (S_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: 405
Temperature: 1.300000
Total energy: -2149.553172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.553172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.564140 (E_RNA)
where:
Base-Base interactions energy: -1531.889
where: short stacking energy: -610.818
Base-Backbone interact. energy: 0.312
local terms energy: -629.987010
where:
bonds (distance) C4'-P energy: -113.681
bonds (distance) P-C4' energy: -97.289
flat angles C4'-P-C4' energy: -145.845
flat angles P-C4'-P energy: -86.591
tors. eta vs tors. theta energy: -186.581
Dist. restrs. and SS energy: 12.011 (S_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: -2101.521825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.521825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.986423 (E_RNA)
where:
Base-Base interactions energy: -1492.372
where: short stacking energy: -595.645
Base-Backbone interact. energy: -0.838
local terms energy: -620.776575
where:
bonds (distance) C4'-P energy: -108.217
bonds (distance) P-C4' energy: -122.454
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -193.736
Dist. restrs. and SS energy: 12.465 (S_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: 406
Temperature: 0.900000
Total energy: -2830.296787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.296787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.036360 (E_RNA)
where:
Base-Base interactions energy: -2003.412
where: short stacking energy: -804.119
Base-Backbone interact. energy: -3.149
local terms energy: -829.475524
where:
bonds (distance) C4'-P energy: -151.146
bonds (distance) P-C4' energy: -138.272
flat angles C4'-P-C4' energy: -167.183
flat angles P-C4'-P energy: -125.129
tors. eta vs tors. theta energy: -247.745
Dist. restrs. and SS energy: 5.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2721.484174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.484174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.592762 (E_RNA)
where:
Base-Base interactions energy: -1896.704
where: short stacking energy: -757.271
Base-Backbone interact. energy: -3.722
local terms energy: -829.167162
where:
bonds (distance) C4'-P energy: -152.767
bonds (distance) P-C4' energy: -143.758
flat angles C4'-P-C4' energy: -171.350
flat angles P-C4'-P energy: -124.976
tors. eta vs tors. theta energy: -236.316
Dist. restrs. and SS energy: 8.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2625.545754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.545754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.988445 (E_RNA)
where:
Base-Base interactions energy: -1873.326
where: short stacking energy: -791.566
Base-Backbone interact. energy: -3.030
local terms energy: -758.632159
where:
bonds (distance) C4'-P energy: -130.773
bonds (distance) P-C4' energy: -121.470
flat angles C4'-P-C4' energy: -156.309
flat angles P-C4'-P energy: -107.077
tors. eta vs tors. theta energy: -243.003
Dist. restrs. and SS energy: 9.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2569.967190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.967190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.083914 (E_RNA)
where:
Base-Base interactions energy: -1818.294
where: short stacking energy: -738.649
Base-Backbone interact. energy: -1.034
local terms energy: -753.755660
where:
bonds (distance) C4'-P energy: -111.232
bonds (distance) P-C4' energy: -132.703
flat angles C4'-P-C4' energy: -159.814
flat angles P-C4'-P energy: -113.198
tors. eta vs tors. theta energy: -236.809
Dist. restrs. and SS energy: 3.117 (S_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: 406
Temperature: 1.100000
Total energy: -2456.105487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.105487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.361552 (E_RNA)
where:
Base-Base interactions energy: -1756.964
where: short stacking energy: -704.957
Base-Backbone interact. energy: -4.198
local terms energy: -702.200265
where:
bonds (distance) C4'-P energy: -122.225
bonds (distance) P-C4' energy: -119.048
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -80.248
tors. eta vs tors. theta energy: -222.822
Dist. restrs. and SS energy: 7.256 (S_DIST_RNA)
chem. 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: -2396.318593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.318593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.794620 (E_RNA)
where:
Base-Base interactions energy: -1712.209
where: short stacking energy: -690.203
Base-Backbone interact. energy: -2.742
local terms energy: -691.843751
where:
bonds (distance) C4'-P energy: -124.427
bonds (distance) P-C4' energy: -125.350
flat angles C4'-P-C4' energy: -138.757
flat angles P-C4'-P energy: -88.526
tors. eta vs tors. theta energy: -214.784
Dist. restrs. and SS energy: 10.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2323.404690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.404690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.760376 (E_RNA)
where:
Base-Base interactions energy: -1651.417
where: short stacking energy: -676.710
Base-Backbone interact. energy: 2.868
local terms energy: -687.211299
where:
bonds (distance) C4'-P energy: -109.673
bonds (distance) P-C4' energy: -122.836
flat angles C4'-P-C4' energy: -142.310
flat angles P-C4'-P energy: -94.801
tors. eta vs tors. theta energy: -217.591
Dist. restrs. and SS energy: 12.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2221.507731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.507731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.262364 (E_RNA)
where:
Base-Base interactions energy: -1614.275
where: short stacking energy: -630.205
Base-Backbone interact. energy: -3.296
local terms energy: -611.691163
where:
bonds (distance) C4'-P energy: -109.785
bonds (distance) P-C4' energy: -113.218
flat angles C4'-P-C4' energy: -123.392
flat angles P-C4'-P energy: -69.488
tors. eta vs tors. theta energy: -195.807
Dist. restrs. and SS energy: 7.755 (S_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: 406
Temperature: 1.300000
Total energy: -2178.452741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.452741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.964082 (E_RNA)
where:
Base-Base interactions energy: -1587.797
where: short stacking energy: -644.971
Base-Backbone interact. energy: -2.167
local terms energy: -605.999909
where:
bonds (distance) C4'-P energy: -102.741
bonds (distance) P-C4' energy: -119.646
flat angles C4'-P-C4' energy: -111.725
flat angles P-C4'-P energy: -80.853
tors. eta vs tors. theta energy: -191.035
Dist. restrs. and SS energy: 17.511 (S_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: -2055.894630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.894630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.374447 (E_RNA)
where:
Base-Base interactions energy: -1455.595
where: short stacking energy: -557.162
Base-Backbone interact. energy: 0.433
local terms energy: -613.212928
where:
bonds (distance) C4'-P energy: -119.071
bonds (distance) P-C4' energy: -102.301
flat angles C4'-P-C4' energy: -132.230
flat angles P-C4'-P energy: -84.438
tors. eta vs tors. theta energy: -175.173
Dist. restrs. and SS energy: 12.480 (S_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: 407
Temperature: 0.900000
Total energy: -2812.104602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.104602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.426577 (E_RNA)
where:
Base-Base interactions energy: -2024.292
where: short stacking energy: -822.858
Base-Backbone interact. energy: -2.162
local terms energy: -790.972431
where:
bonds (distance) C4'-P energy: -132.899
bonds (distance) P-C4' energy: -127.991
flat angles C4'-P-C4' energy: -166.174
flat angles P-C4'-P energy: -113.616
tors. eta vs tors. theta energy: -250.292
Dist. restrs. and SS energy: 5.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2719.054421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.054421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.755244 (E_RNA)
where:
Base-Base interactions energy: -1932.535
where: short stacking energy: -793.600
Base-Backbone interact. energy: -3.303
local terms energy: -790.917031
where:
bonds (distance) C4'-P energy: -129.341
bonds (distance) P-C4' energy: -142.198
flat angles C4'-P-C4' energy: -157.946
flat angles P-C4'-P energy: -117.471
tors. eta vs tors. theta energy: -243.961
Dist. restrs. and SS energy: 7.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2612.705116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.705116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.319992 (E_RNA)
where:
Base-Base interactions energy: -1844.974
where: short stacking energy: -762.640
Base-Backbone interact. energy: -0.284
local terms energy: -775.061954
where:
bonds (distance) C4'-P energy: -132.188
bonds (distance) P-C4' energy: -142.843
flat angles C4'-P-C4' energy: -160.506
flat angles P-C4'-P energy: -110.098
tors. eta vs tors. theta energy: -229.426
Dist. restrs. and SS energy: 7.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2534.611508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.611508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.664742 (E_RNA)
where:
Base-Base interactions energy: -1795.059
where: short stacking energy: -717.212
Base-Backbone interact. energy: -2.789
local terms energy: -742.816820
where:
bonds (distance) C4'-P energy: -126.728
bonds (distance) P-C4' energy: -127.736
flat angles C4'-P-C4' energy: -154.695
flat angles P-C4'-P energy: -115.289
tors. eta vs tors. theta energy: -218.369
Dist. restrs. and SS energy: 6.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2509.992060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.992060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.405411 (E_RNA)
where:
Base-Base interactions energy: -1783.908
where: short stacking energy: -722.502
Base-Backbone interact. energy: -0.497
local terms energy: -729.000652
where:
bonds (distance) C4'-P energy: -131.552
bonds (distance) P-C4' energy: -132.886
flat angles C4'-P-C4' energy: -139.625
flat angles P-C4'-P energy: -100.343
tors. eta vs tors. theta energy: -224.594
Dist. restrs. and SS energy: 3.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2393.404871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.404871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.737774 (E_RNA)
where:
Base-Base interactions energy: -1724.617
where: short stacking energy: -694.908
Base-Backbone interact. energy: -2.213
local terms energy: -679.907320
where:
bonds (distance) C4'-P energy: -132.052
bonds (distance) P-C4' energy: -109.940
flat angles C4'-P-C4' energy: -135.039
flat angles P-C4'-P energy: -85.469
tors. eta vs tors. theta energy: -217.407
Dist. restrs. and SS energy: 13.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2336.464345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.464345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.439993 (E_RNA)
where:
Base-Base interactions energy: -1667.296
where: short stacking energy: -690.513
Base-Backbone interact. energy: -1.022
local terms energy: -675.122103
where:
bonds (distance) C4'-P energy: -110.404
bonds (distance) P-C4' energy: -117.897
flat angles C4'-P-C4' energy: -134.291
flat angles P-C4'-P energy: -100.449
tors. eta vs tors. theta energy: -212.082
Dist. restrs. and SS energy: 6.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -2187.400924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.400924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.336840 (E_RNA)
where:
Base-Base interactions energy: -1560.942
where: short stacking energy: -591.130
Base-Backbone interact. energy: -1.048
local terms energy: -630.346721
where:
bonds (distance) C4'-P energy: -116.048
bonds (distance) P-C4' energy: -114.421
flat angles C4'-P-C4' energy: -127.279
flat angles P-C4'-P energy: -89.436
tors. eta vs tors. theta energy: -183.163
Dist. restrs. and SS energy: 4.936 (S_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: 407
Temperature: 1.300000
Total energy: -2175.052839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.052839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.071070 (E_RNA)
where:
Base-Base interactions energy: -1521.175
where: short stacking energy: -611.741
Base-Backbone interact. energy: 4.475
local terms energy: -669.370826
where:
bonds (distance) C4'-P energy: -118.553
bonds (distance) P-C4' energy: -110.526
flat angles C4'-P-C4' energy: -149.227
flat angles P-C4'-P energy: -93.245
tors. eta vs tors. theta energy: -197.819
Dist. restrs. and SS energy: 11.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -2084.419265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.419265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.516745 (E_RNA)
where:
Base-Base interactions energy: -1525.268
where: short stacking energy: -600.432
Base-Backbone interact. energy: -1.814
local terms energy: -565.434642
where:
bonds (distance) C4'-P energy: -88.133
bonds (distance) P-C4' energy: -109.467
flat angles C4'-P-C4' energy: -113.927
flat angles P-C4'-P energy: -66.759
tors. eta vs tors. theta energy: -187.149
Dist. restrs. and SS energy: 8.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2774.174026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.174026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.454363 (E_RNA)
where:
Base-Base interactions energy: -1980.498
where: short stacking energy: -794.956
Base-Backbone interact. energy: -2.109
local terms energy: -798.846978
where:
bonds (distance) C4'-P energy: -138.256
bonds (distance) P-C4' energy: -123.403
flat angles C4'-P-C4' energy: -175.880
flat angles P-C4'-P energy: -118.370
tors. eta vs tors. theta energy: -242.938
Dist. restrs. and SS energy: 7.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2712.848934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.848934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.151117 (E_RNA)
where:
Base-Base interactions energy: -1900.023
where: short stacking energy: -777.972
Base-Backbone interact. energy: -2.502
local terms energy: -816.625579
where:
bonds (distance) C4'-P energy: -143.930
bonds (distance) P-C4' energy: -140.497
flat angles C4'-P-C4' energy: -171.752
flat angles P-C4'-P energy: -110.797
tors. eta vs tors. theta energy: -249.650
Dist. restrs. and SS energy: 6.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2632.312222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.312222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.739179 (E_RNA)
where:
Base-Base interactions energy: -1854.190
where: short stacking energy: -765.427
Base-Backbone interact. energy: -0.429
local terms energy: -786.119749
where:
bonds (distance) C4'-P energy: -140.756
bonds (distance) P-C4' energy: -141.553
flat angles C4'-P-C4' energy: -158.245
flat angles P-C4'-P energy: -112.235
tors. eta vs tors. theta energy: -233.331
Dist. restrs. and SS energy: 8.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2524.945713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.945713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.489385 (E_RNA)
where:
Base-Base interactions energy: -1779.842
where: short stacking energy: -733.470
Base-Backbone interact. energy: -2.646
local terms energy: -746.001462
where:
bonds (distance) C4'-P energy: -115.124
bonds (distance) P-C4' energy: -138.799
flat angles C4'-P-C4' energy: -157.152
flat angles P-C4'-P energy: -107.768
tors. eta vs tors. theta energy: -227.158
Dist. restrs. and SS energy: 3.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2493.300617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.300617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.234933 (E_RNA)
where:
Base-Base interactions energy: -1777.054
where: short stacking energy: -681.483
Base-Backbone interact. energy: 4.042
local terms energy: -723.222705
where:
bonds (distance) C4'-P energy: -125.242
bonds (distance) P-C4' energy: -133.308
flat angles C4'-P-C4' energy: -144.217
flat angles P-C4'-P energy: -106.111
tors. eta vs tors. theta energy: -214.345
Dist. restrs. and SS energy: 2.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2383.495241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.495241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.029047 (E_RNA)
where:
Base-Base interactions energy: -1702.553
where: short stacking energy: -674.582
Base-Backbone interact. energy: -1.059
local terms energy: -689.417494
where:
bonds (distance) C4'-P energy: -101.618
bonds (distance) P-C4' energy: -123.217
flat angles C4'-P-C4' energy: -158.440
flat angles P-C4'-P energy: -93.899
tors. eta vs tors. theta energy: -212.244
Dist. restrs. and SS energy: 9.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2398.488352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.488352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.104079 (E_RNA)
where:
Base-Base interactions energy: -1766.637
where: short stacking energy: -695.205
Base-Backbone interact. energy: -1.924
local terms energy: -633.543115
where:
bonds (distance) C4'-P energy: -97.052
bonds (distance) P-C4' energy: -92.911
flat angles C4'-P-C4' energy: -131.307
flat angles P-C4'-P energy: -90.304
tors. eta vs tors. theta energy: -221.969
Dist. restrs. and SS energy: 3.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2214.670570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.670570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.037003 (E_RNA)
where:
Base-Base interactions energy: -1588.059
where: short stacking energy: -625.950
Base-Backbone interact. energy: -4.271
local terms energy: -624.706636
where:
bonds (distance) C4'-P energy: -103.582
bonds (distance) P-C4' energy: -124.781
flat angles C4'-P-C4' energy: -141.140
flat angles P-C4'-P energy: -83.671
tors. eta vs tors. theta energy: -171.532
Dist. restrs. and SS energy: 2.366 (S_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: -2139.059879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.059879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.143620 (E_RNA)
where:
Base-Base interactions energy: -1541.065
where: short stacking energy: -600.136
Base-Backbone interact. energy: -2.807
local terms energy: -613.270930
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -100.878
flat angles C4'-P-C4' energy: -129.590
flat angles P-C4'-P energy: -84.860
tors. eta vs tors. theta energy: -185.975
Dist. restrs. and SS energy: 18.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -2068.562311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.562311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.115754 (E_RNA)
where:
Base-Base interactions energy: -1511.371
where: short stacking energy: -617.467
Base-Backbone interact. energy: -0.984
local terms energy: -569.760346
where:
bonds (distance) C4'-P energy: -94.814
bonds (distance) P-C4' energy: -92.399
flat angles C4'-P-C4' energy: -135.302
flat angles P-C4'-P energy: -73.855
tors. eta vs tors. theta energy: -173.389
Dist. restrs. and SS energy: 13.553 (S_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: 409
Temperature: 0.900000
Total energy: -2785.819144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.819144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.449431 (E_RNA)
where:
Base-Base interactions energy: -1998.215
where: short stacking energy: -815.372
Base-Backbone interact. energy: 2.562
local terms energy: -797.796170
where:
bonds (distance) C4'-P energy: -125.101
bonds (distance) P-C4' energy: -139.214
flat angles C4'-P-C4' energy: -167.452
flat angles P-C4'-P energy: -118.109
tors. eta vs tors. theta energy: -247.920
Dist. restrs. and SS energy: 7.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2714.910464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.910464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.229209 (E_RNA)
where:
Base-Base interactions energy: -1931.555
where: short stacking energy: -790.840
Base-Backbone interact. energy: 0.025
local terms energy: -789.699818
where:
bonds (distance) C4'-P energy: -119.205
bonds (distance) P-C4' energy: -138.131
flat angles C4'-P-C4' energy: -162.960
flat angles P-C4'-P energy: -116.153
tors. eta vs tors. theta energy: -253.251
Dist. restrs. and SS energy: 6.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2633.453225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.453225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.074481 (E_RNA)
where:
Base-Base interactions energy: -1887.689
where: short stacking energy: -769.587
Base-Backbone interact. energy: -0.448
local terms energy: -752.937310
where:
bonds (distance) C4'-P energy: -118.607
bonds (distance) P-C4' energy: -124.663
flat angles C4'-P-C4' energy: -159.444
flat angles P-C4'-P energy: -110.186
tors. eta vs tors. theta energy: -240.037
Dist. restrs. and SS energy: 7.621 (S_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: 409
Temperature: 1.050000
Total energy: -2578.195169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.195169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.628885 (E_RNA)
where:
Base-Base interactions energy: -1846.641
where: short stacking energy: -743.644
Base-Backbone interact. energy: -1.640
local terms energy: -736.347907
where:
bonds (distance) C4'-P energy: -114.249
bonds (distance) P-C4' energy: -137.535
flat angles C4'-P-C4' energy: -154.235
flat angles P-C4'-P energy: -108.611
tors. eta vs tors. theta energy: -221.718
Dist. restrs. and SS energy: 6.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2488.792606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.792606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.253856 (E_RNA)
where:
Base-Base interactions energy: -1763.743
where: short stacking energy: -703.279
Base-Backbone interact. energy: 0.900
local terms energy: -729.410225
where:
bonds (distance) C4'-P energy: -126.824
bonds (distance) P-C4' energy: -119.684
flat angles C4'-P-C4' energy: -159.628
flat angles P-C4'-P energy: -101.227
tors. eta vs tors. theta energy: -222.047
Dist. restrs. and SS energy: 3.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2418.502879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.502879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.160873 (E_RNA)
where:
Base-Base interactions energy: -1731.104
where: short stacking energy: -704.452
Base-Backbone interact. energy: -1.099
local terms energy: -692.957868
where:
bonds (distance) C4'-P energy: -123.619
bonds (distance) P-C4' energy: -131.721
flat angles C4'-P-C4' energy: -131.979
flat angles P-C4'-P energy: -95.772
tors. eta vs tors. theta energy: -209.866
Dist. restrs. and SS energy: 6.658 (S_DIST_RNA)
chem. 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: -2282.499252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.499252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.529060 (E_RNA)
where:
Base-Base interactions energy: -1623.853
where: short stacking energy: -658.534
Base-Backbone interact. energy: 0.485
local terms energy: -670.161551
where:
bonds (distance) C4'-P energy: -115.050
bonds (distance) P-C4' energy: -129.733
flat angles C4'-P-C4' energy: -145.483
flat angles P-C4'-P energy: -80.291
tors. eta vs tors. theta energy: -199.605
Dist. restrs. and SS energy: 11.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2230.924685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.924685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.990169 (E_RNA)
where:
Base-Base interactions energy: -1618.124
where: short stacking energy: -653.846
Base-Backbone interact. energy: -5.177
local terms energy: -611.689691
where:
bonds (distance) C4'-P energy: -101.032
bonds (distance) P-C4' energy: -104.843
flat angles C4'-P-C4' energy: -133.574
flat angles P-C4'-P energy: -72.310
tors. eta vs tors. theta energy: -199.931
Dist. restrs. and SS energy: 4.065 (S_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: 409
Temperature: 1.300000
Total energy: -2113.311370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.311370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.025936 (E_RNA)
where:
Base-Base interactions energy: -1526.707
where: short stacking energy: -609.724
Base-Backbone interact. energy: -1.778
local terms energy: -603.541405
where:
bonds (distance) C4'-P energy: -90.624
bonds (distance) P-C4' energy: -111.616
flat angles C4'-P-C4' energy: -137.430
flat angles P-C4'-P energy: -80.140
tors. eta vs tors. theta energy: -183.732
Dist. restrs. and SS energy: 18.715 (S_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: 409
Temperature: 1.350000
Total energy: -2115.589909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.589909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.304000 (E_RNA)
where:
Base-Base interactions energy: -1532.093
where: short stacking energy: -622.836
Base-Backbone interact. energy: 7.125
local terms energy: -602.335645
where:
bonds (distance) C4'-P energy: -88.621
bonds (distance) P-C4' energy: -98.260
flat angles C4'-P-C4' energy: -129.739
flat angles P-C4'-P energy: -92.925
tors. eta vs tors. theta energy: -192.791
Dist. restrs. and SS energy: 11.714 (S_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: 410
Temperature: 0.900000
Total energy: -2801.633709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.633709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.692789 (E_RNA)
where:
Base-Base interactions energy: -1979.121
where: short stacking energy: -813.615
Base-Backbone interact. energy: -3.107
local terms energy: -826.464694
where:
bonds (distance) C4'-P energy: -145.818
bonds (distance) P-C4' energy: -145.348
flat angles C4'-P-C4' energy: -166.765
flat angles P-C4'-P energy: -123.448
tors. eta vs tors. theta energy: -245.085
Dist. restrs. and SS energy: 7.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2724.646206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.646206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.932908 (E_RNA)
where:
Base-Base interactions energy: -1928.631
where: short stacking energy: -787.562
Base-Backbone interact. energy: -2.219
local terms energy: -802.082067
where:
bonds (distance) C4'-P energy: -135.211
bonds (distance) P-C4' energy: -144.296
flat angles C4'-P-C4' energy: -163.377
flat angles P-C4'-P energy: -107.074
tors. eta vs tors. theta energy: -252.124
Dist. restrs. and SS energy: 8.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2611.986909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.986909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.587238 (E_RNA)
where:
Base-Base interactions energy: -1853.870
where: short stacking energy: -755.769
Base-Backbone interact. energy: 1.026
local terms energy: -766.743152
where:
bonds (distance) C4'-P energy: -139.856
bonds (distance) P-C4' energy: -143.462
flat angles C4'-P-C4' energy: -150.964
flat angles P-C4'-P energy: -107.426
tors. eta vs tors. theta energy: -225.036
Dist. restrs. and SS energy: 7.600 (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: 410
Temperature: 1.050000
Total energy: -2561.633059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.633059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.086850 (E_RNA)
where:
Base-Base interactions energy: -1819.381
where: short stacking energy: -732.762
Base-Backbone interact. energy: -1.585
local terms energy: -746.120330
where:
bonds (distance) C4'-P energy: -120.246
bonds (distance) P-C4' energy: -126.530
flat angles C4'-P-C4' energy: -155.760
flat angles P-C4'-P energy: -116.612
tors. eta vs tors. theta energy: -226.973
Dist. restrs. and SS energy: 5.454 (S_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: 410
Temperature: 1.100000
Total energy: -2492.469689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.469689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.543655 (E_RNA)
where:
Base-Base interactions energy: -1768.343
where: short stacking energy: -714.830
Base-Backbone interact. energy: 3.758
local terms energy: -733.959106
where:
bonds (distance) C4'-P energy: -130.061
bonds (distance) P-C4' energy: -133.073
flat angles C4'-P-C4' energy: -142.231
flat angles P-C4'-P energy: -110.624
tors. eta vs tors. theta energy: -217.970
Dist. restrs. and SS energy: 6.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2440.708792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.708792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.950710 (E_RNA)
where:
Base-Base interactions energy: -1732.368
where: short stacking energy: -680.466
Base-Backbone interact. energy: -1.239
local terms energy: -710.343806
where:
bonds (distance) C4'-P energy: -121.867
bonds (distance) P-C4' energy: -122.929
flat angles C4'-P-C4' energy: -156.431
flat angles P-C4'-P energy: -99.440
tors. eta vs tors. theta energy: -209.678
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2317.458952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.458952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.313695 (E_RNA)
where:
Base-Base interactions energy: -1665.352
where: short stacking energy: -643.339
Base-Backbone interact. energy: 2.453
local terms energy: -669.414626
where:
bonds (distance) C4'-P energy: -116.679
bonds (distance) P-C4' energy: -108.331
flat angles C4'-P-C4' energy: -136.674
flat angles P-C4'-P energy: -97.658
tors. eta vs tors. theta energy: -210.073
Dist. restrs. and SS energy: 14.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2232.653667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.653667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.200858 (E_RNA)
where:
Base-Base interactions energy: -1596.630
where: short stacking energy: -625.682
Base-Backbone interact. energy: -1.594
local terms energy: -637.976904
where:
bonds (distance) C4'-P energy: -109.155
bonds (distance) P-C4' energy: -122.129
flat angles C4'-P-C4' energy: -133.898
flat angles P-C4'-P energy: -79.689
tors. eta vs tors. theta energy: -193.106
Dist. restrs. and SS energy: 3.547 (S_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: 410
Temperature: 1.300000
Total energy: -2157.941192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.941192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.640225 (E_RNA)
where:
Base-Base interactions energy: -1561.593
where: short stacking energy: -636.039
Base-Backbone interact. energy: -0.220
local terms energy: -603.827047
where:
bonds (distance) C4'-P energy: -109.224
bonds (distance) P-C4' energy: -90.228
flat angles C4'-P-C4' energy: -137.071
flat angles P-C4'-P energy: -84.235
tors. eta vs tors. theta energy: -183.070
Dist. restrs. and SS energy: 7.699 (S_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: 410
Temperature: 1.350000
Total energy: -2101.128956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.128956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.377475 (E_RNA)
where:
Base-Base interactions energy: -1495.311
where: short stacking energy: -600.651
Base-Backbone interact. energy: -2.411
local terms energy: -628.655595
where:
bonds (distance) C4'-P energy: -93.450
bonds (distance) P-C4' energy: -109.167
flat angles C4'-P-C4' energy: -142.540
flat angles P-C4'-P energy: -90.874
tors. eta vs tors. theta energy: -192.625
Dist. restrs. and SS energy: 25.249 (S_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: 411
Temperature: 0.900000
Total energy: -2800.452195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.452195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.914649 (E_RNA)
where:
Base-Base interactions energy: -2010.344
where: short stacking energy: -825.287
Base-Backbone interact. energy: 2.035
local terms energy: -799.605243
where:
bonds (distance) C4'-P energy: -131.546
bonds (distance) P-C4' energy: -123.919
flat angles C4'-P-C4' energy: -171.733
flat angles P-C4'-P energy: -124.515
tors. eta vs tors. theta energy: -247.892
Dist. restrs. and SS energy: 7.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2721.666487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.666487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.583780 (E_RNA)
where:
Base-Base interactions energy: -1906.852
where: short stacking energy: -786.833
Base-Backbone interact. energy: -1.132
local terms energy: -825.599545
where:
bonds (distance) C4'-P energy: -135.960
bonds (distance) P-C4' energy: -143.454
flat angles C4'-P-C4' energy: -168.348
flat angles P-C4'-P energy: -125.999
tors. eta vs tors. theta energy: -251.838
Dist. restrs. and SS energy: 11.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2643.928492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.928492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.937632 (E_RNA)
where:
Base-Base interactions energy: -1876.255
where: short stacking energy: -773.905
Base-Backbone interact. energy: -2.850
local terms energy: -771.832647
where:
bonds (distance) C4'-P energy: -125.328
bonds (distance) P-C4' energy: -135.097
flat angles C4'-P-C4' energy: -162.461
flat angles P-C4'-P energy: -119.049
tors. eta vs tors. theta energy: -229.898
Dist. restrs. and SS energy: 7.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2553.865761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.865761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.981670 (E_RNA)
where:
Base-Base interactions energy: -1821.014
where: short stacking energy: -753.960
Base-Backbone interact. energy: -0.701
local terms energy: -738.266387
where:
bonds (distance) C4'-P energy: -139.062
bonds (distance) P-C4' energy: -129.173
flat angles C4'-P-C4' energy: -153.580
flat angles P-C4'-P energy: -89.824
tors. eta vs tors. theta energy: -226.627
Dist. restrs. and SS energy: 6.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2437.720653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.720653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.189691 (E_RNA)
where:
Base-Base interactions energy: -1744.298
where: short stacking energy: -724.947
Base-Backbone interact. energy: 3.452
local terms energy: -702.343528
where:
bonds (distance) C4'-P energy: -113.934
bonds (distance) P-C4' energy: -108.647
flat angles C4'-P-C4' energy: -156.787
flat angles P-C4'-P energy: -99.400
tors. eta vs tors. theta energy: -223.576
Dist. restrs. and SS energy: 5.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2388.688386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.688386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.711354 (E_RNA)
where:
Base-Base interactions energy: -1692.255
where: short stacking energy: -673.981
Base-Backbone interact. energy: -0.857
local terms energy: -698.599492
where:
bonds (distance) C4'-P energy: -118.865
bonds (distance) P-C4' energy: -123.860
flat angles C4'-P-C4' energy: -146.145
flat angles P-C4'-P energy: -108.520
tors. eta vs tors. theta energy: -201.210
Dist. restrs. and SS energy: 3.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2333.129756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.129756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.611467 (E_RNA)
where:
Base-Base interactions energy: -1653.587
where: short stacking energy: -646.901
Base-Backbone interact. energy: -3.994
local terms energy: -685.031038
where:
bonds (distance) C4'-P energy: -113.496
bonds (distance) P-C4' energy: -138.604
flat angles C4'-P-C4' energy: -134.193
flat angles P-C4'-P energy: -87.174
tors. eta vs tors. theta energy: -211.564
Dist. restrs. and SS energy: 9.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -2229.319699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.319699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.598960 (E_RNA)
where:
Base-Base interactions energy: -1572.714
where: short stacking energy: -620.971
Base-Backbone interact. energy: 5.084
local terms energy: -668.969315
where:
bonds (distance) C4'-P energy: -108.151
bonds (distance) P-C4' energy: -144.973
flat angles C4'-P-C4' energy: -143.118
flat angles P-C4'-P energy: -84.520
tors. eta vs tors. theta energy: -188.207
Dist. restrs. and SS energy: 7.279 (S_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: 411
Temperature: 1.300000
Total energy: -2153.646013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.646013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.007958 (E_RNA)
where:
Base-Base interactions energy: -1548.968
where: short stacking energy: -622.549
Base-Backbone interact. energy: 3.121
local terms energy: -622.160884
where:
bonds (distance) C4'-P energy: -98.783
bonds (distance) P-C4' energy: -108.502
flat angles C4'-P-C4' energy: -139.120
flat angles P-C4'-P energy: -85.753
tors. eta vs tors. theta energy: -190.003
Dist. restrs. and SS energy: 14.362 (S_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: 411
Temperature: 1.350000
Total energy: -2074.853904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.853904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.060131 (E_RNA)
where:
Base-Base interactions energy: -1510.994
where: short stacking energy: -585.209
Base-Backbone interact. energy: 0.740
local terms energy: -582.807005
where:
bonds (distance) C4'-P energy: -100.254
bonds (distance) P-C4' energy: -107.142
flat angles C4'-P-C4' energy: -130.659
flat angles P-C4'-P energy: -62.419
tors. eta vs tors. theta energy: -182.334
Dist. restrs. and SS energy: 18.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2819.962083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.962083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.335063 (E_RNA)
where:
Base-Base interactions energy: -2018.293
where: short stacking energy: -826.854
Base-Backbone interact. energy: -1.429
local terms energy: -807.612392
where:
bonds (distance) C4'-P energy: -134.784
bonds (distance) P-C4' energy: -126.710
flat angles C4'-P-C4' energy: -172.161
flat angles P-C4'-P energy: -113.929
tors. eta vs tors. theta energy: -260.028
Dist. restrs. and SS energy: 7.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2739.992084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.992084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.981974 (E_RNA)
where:
Base-Base interactions energy: -1940.952
where: short stacking energy: -793.964
Base-Backbone interact. energy: -0.984
local terms energy: -806.045475
where:
bonds (distance) C4'-P energy: -147.784
bonds (distance) P-C4' energy: -139.710
flat angles C4'-P-C4' energy: -165.299
flat angles P-C4'-P energy: -107.987
tors. eta vs tors. theta energy: -245.265
Dist. restrs. and SS energy: 7.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2666.698238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.698238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.186862 (E_RNA)
where:
Base-Base interactions energy: -1900.714
where: short stacking energy: -767.167
Base-Backbone interact. energy: -1.166
local terms energy: -773.306356
where:
bonds (distance) C4'-P energy: -124.201
bonds (distance) P-C4' energy: -133.869
flat angles C4'-P-C4' energy: -161.416
flat angles P-C4'-P energy: -107.495
tors. eta vs tors. theta energy: -246.326
Dist. restrs. and SS energy: 8.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2570.334296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.334296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.584704 (E_RNA)
where:
Base-Base interactions energy: -1834.982
where: short stacking energy: -748.546
Base-Backbone interact. energy: 1.615
local terms energy: -740.217236
where:
bonds (distance) C4'-P energy: -113.099
bonds (distance) P-C4' energy: -141.731
flat angles C4'-P-C4' energy: -148.714
flat angles P-C4'-P energy: -99.899
tors. eta vs tors. theta energy: -236.773
Dist. restrs. and SS energy: 3.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2454.273585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.273585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.457096 (E_RNA)
where:
Base-Base interactions energy: -1764.054
where: short stacking energy: -703.698
Base-Backbone interact. energy: 9.742
local terms energy: -707.145533
where:
bonds (distance) C4'-P energy: -126.802
bonds (distance) P-C4' energy: -128.708
flat angles C4'-P-C4' energy: -138.865
flat angles P-C4'-P energy: -90.408
tors. eta vs tors. theta energy: -222.363
Dist. restrs. and SS energy: 7.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2426.920448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.920448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.962179 (E_RNA)
where:
Base-Base interactions energy: -1733.976
where: short stacking energy: -705.861
Base-Backbone interact. energy: -2.380
local terms energy: -694.606044
where:
bonds (distance) C4'-P energy: -136.591
bonds (distance) P-C4' energy: -94.342
flat angles C4'-P-C4' energy: -157.466
flat angles P-C4'-P energy: -80.173
tors. eta vs tors. theta energy: -226.034
Dist. restrs. and SS energy: 4.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2249.682360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.682360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.507925 (E_RNA)
where:
Base-Base interactions energy: -1608.887
where: short stacking energy: -639.686
Base-Backbone interact. energy: -1.882
local terms energy: -652.739526
where:
bonds (distance) C4'-P energy: -99.788
bonds (distance) P-C4' energy: -126.219
flat angles C4'-P-C4' energy: -144.462
flat angles P-C4'-P energy: -88.433
tors. eta vs tors. theta energy: -193.837
Dist. restrs. and SS energy: 13.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2207.394529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.394529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.033152 (E_RNA)
where:
Base-Base interactions energy: -1592.907
where: short stacking energy: -637.164
Base-Backbone interact. energy: -1.622
local terms energy: -621.505102
where:
bonds (distance) C4'-P energy: -99.003
bonds (distance) P-C4' energy: -120.177
flat angles C4'-P-C4' energy: -136.900
flat angles P-C4'-P energy: -70.988
tors. eta vs tors. theta energy: -194.437
Dist. restrs. and SS energy: 8.639 (S_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: 412
Temperature: 1.300000
Total energy: -2198.822012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.822012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.869580 (E_RNA)
where:
Base-Base interactions energy: -1576.818
where: short stacking energy: -649.490
Base-Backbone interact. energy: -2.234
local terms energy: -630.817764
where:
bonds (distance) C4'-P energy: -95.167
bonds (distance) P-C4' energy: -97.076
flat angles C4'-P-C4' energy: -142.358
flat angles P-C4'-P energy: -101.241
tors. eta vs tors. theta energy: -194.976
Dist. restrs. and SS energy: 11.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -2037.128106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.128106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.063493 (E_RNA)
where:
Base-Base interactions energy: -1455.180
where: short stacking energy: -577.635
Base-Backbone interact. energy: 1.770
local terms energy: -602.653352
where:
bonds (distance) C4'-P energy: -104.829
bonds (distance) P-C4' energy: -118.390
flat angles C4'-P-C4' energy: -138.722
flat angles P-C4'-P energy: -69.634
tors. eta vs tors. theta energy: -171.079
Dist. restrs. and SS energy: 18.935 (S_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: 413
Temperature: 0.900000
Total energy: -2811.734312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.734312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.738293 (E_RNA)
where:
Base-Base interactions energy: -1988.011
where: short stacking energy: -815.329
Base-Backbone interact. energy: -2.565
local terms energy: -828.162642
where:
bonds (distance) C4'-P energy: -137.752
bonds (distance) P-C4' energy: -147.299
flat angles C4'-P-C4' energy: -166.311
flat angles P-C4'-P energy: -127.560
tors. eta vs tors. theta energy: -249.240
Dist. restrs. and SS energy: 7.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2744.021407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.021407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.875675 (E_RNA)
where:
Base-Base interactions energy: -1928.494
where: short stacking energy: -771.347
Base-Backbone interact. energy: -0.082
local terms energy: -825.299353
where:
bonds (distance) C4'-P energy: -140.767
bonds (distance) P-C4' energy: -140.312
flat angles C4'-P-C4' energy: -171.892
flat angles P-C4'-P energy: -123.933
tors. eta vs tors. theta energy: -248.395
Dist. restrs. and SS energy: 9.854 (S_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: 413
Temperature: 1.000000
Total energy: -2657.912504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.912504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.023981 (E_RNA)
where:
Base-Base interactions energy: -1893.370
where: short stacking energy: -778.166
Base-Backbone interact. energy: -2.540
local terms energy: -770.114435
where:
bonds (distance) C4'-P energy: -129.013
bonds (distance) P-C4' energy: -133.921
flat angles C4'-P-C4' energy: -153.037
flat angles P-C4'-P energy: -116.136
tors. eta vs tors. theta energy: -238.007
Dist. restrs. and SS energy: 8.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2590.604875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.604875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.976548 (E_RNA)
where:
Base-Base interactions energy: -1842.898
where: short stacking energy: -748.527
Base-Backbone interact. energy: 0.413
local terms energy: -750.491518
where:
bonds (distance) C4'-P energy: -117.255
bonds (distance) P-C4' energy: -130.214
flat angles C4'-P-C4' energy: -161.143
flat angles P-C4'-P energy: -103.912
tors. eta vs tors. theta energy: -237.968
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2491.361348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.361348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.959086 (E_RNA)
where:
Base-Base interactions energy: -1764.030
where: short stacking energy: -717.548
Base-Backbone interact. energy: -4.762
local terms energy: -729.167449
where:
bonds (distance) C4'-P energy: -141.744
bonds (distance) P-C4' energy: -125.794
flat angles C4'-P-C4' energy: -151.722
flat angles P-C4'-P energy: -94.901
tors. eta vs tors. theta energy: -215.007
Dist. restrs. and SS energy: 6.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2425.755979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.755979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.386255 (E_RNA)
where:
Base-Base interactions energy: -1734.922
where: short stacking energy: -686.385
Base-Backbone interact. energy: -2.728
local terms energy: -692.737192
where:
bonds (distance) C4'-P energy: -116.658
bonds (distance) P-C4' energy: -125.894
flat angles C4'-P-C4' energy: -149.188
flat angles P-C4'-P energy: -94.768
tors. eta vs tors. theta energy: -206.230
Dist. restrs. and SS energy: 4.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2314.167719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.167719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.082087 (E_RNA)
where:
Base-Base interactions energy: -1661.369
where: short stacking energy: -655.004
Base-Backbone interact. energy: -1.881
local terms energy: -657.832262
where:
bonds (distance) C4'-P energy: -119.283
bonds (distance) P-C4' energy: -105.180
flat angles C4'-P-C4' energy: -131.682
flat angles P-C4'-P energy: -100.461
tors. eta vs tors. theta energy: -201.227
Dist. restrs. and SS energy: 6.914 (S_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: 413
Temperature: 1.250000
Total energy: -2231.251947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.251947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.095021 (E_RNA)
where:
Base-Base interactions energy: -1555.629
where: short stacking energy: -633.049
Base-Backbone interact. energy: -2.880
local terms energy: -688.585902
where:
bonds (distance) C4'-P energy: -122.272
bonds (distance) P-C4' energy: -126.892
flat angles C4'-P-C4' energy: -141.338
flat angles P-C4'-P energy: -103.072
tors. eta vs tors. theta energy: -195.012
Dist. restrs. and SS energy: 15.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -2190.451504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.451504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.873966 (E_RNA)
where:
Base-Base interactions energy: -1538.643
where: short stacking energy: -594.693
Base-Backbone interact. energy: 0.153
local terms energy: -663.383850
where:
bonds (distance) C4'-P energy: -124.213
bonds (distance) P-C4' energy: -120.652
flat angles C4'-P-C4' energy: -135.204
flat angles P-C4'-P energy: -96.786
tors. eta vs tors. theta energy: -186.529
Dist. restrs. and SS energy: 11.422 (S_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: 413
Temperature: 1.350000
Total energy: -2077.496683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.496683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.818820 (E_RNA)
where:
Base-Base interactions energy: -1516.864
where: short stacking energy: -605.804
Base-Backbone interact. energy: -2.244
local terms energy: -577.710781
where:
bonds (distance) C4'-P energy: -102.955
bonds (distance) P-C4' energy: -87.968
flat angles C4'-P-C4' energy: -126.166
flat angles P-C4'-P energy: -77.332
tors. eta vs tors. theta energy: -183.290
Dist. restrs. and SS energy: 19.322 (S_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: 414
Temperature: 0.900000
Total energy: -2800.696816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.696816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.371866 (E_RNA)
where:
Base-Base interactions energy: -1975.949
where: short stacking energy: -818.717
Base-Backbone interact. energy: -0.756
local terms energy: -830.667187
where:
bonds (distance) C4'-P energy: -144.774
bonds (distance) P-C4' energy: -141.552
flat angles C4'-P-C4' energy: -166.480
flat angles P-C4'-P energy: -123.732
tors. eta vs tors. theta energy: -254.129
Dist. restrs. and SS energy: 6.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2712.667816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.667816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.357228 (E_RNA)
where:
Base-Base interactions energy: -1920.660
where: short stacking energy: -790.229
Base-Backbone interact. energy: 0.228
local terms energy: -802.924835
where:
bonds (distance) C4'-P energy: -140.715
bonds (distance) P-C4' energy: -126.209
flat angles C4'-P-C4' energy: -167.344
flat angles P-C4'-P energy: -117.374
tors. eta vs tors. theta energy: -251.283
Dist. restrs. and SS energy: 10.689 (S_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: 414
Temperature: 1.000000
Total energy: -2661.477493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.477493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.932814 (E_RNA)
where:
Base-Base interactions energy: -1882.627
where: short stacking energy: -764.684
Base-Backbone interact. energy: -0.928
local terms energy: -784.378694
where:
bonds (distance) C4'-P energy: -142.468
bonds (distance) P-C4' energy: -138.025
flat angles C4'-P-C4' energy: -152.350
flat angles P-C4'-P energy: -114.716
tors. eta vs tors. theta energy: -236.819
Dist. restrs. and SS energy: 6.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2561.853993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.853993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.196912 (E_RNA)
where:
Base-Base interactions energy: -1806.187
where: short stacking energy: -738.700
Base-Backbone interact. energy: -1.166
local terms energy: -758.843785
where:
bonds (distance) C4'-P energy: -134.074
bonds (distance) P-C4' energy: -137.745
flat angles C4'-P-C4' energy: -148.877
flat angles P-C4'-P energy: -112.839
tors. eta vs tors. theta energy: -225.308
Dist. restrs. and SS energy: 4.343 (S_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: 414
Temperature: 1.100000
Total energy: -2504.749633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.749633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.468705 (E_RNA)
where:
Base-Base interactions energy: -1790.624
where: short stacking energy: -726.331
Base-Backbone interact. energy: -0.799
local terms energy: -718.044870
where:
bonds (distance) C4'-P energy: -129.623
bonds (distance) P-C4' energy: -111.552
flat angles C4'-P-C4' energy: -158.425
flat angles P-C4'-P energy: -103.255
tors. eta vs tors. theta energy: -215.190
Dist. restrs. and SS energy: 4.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2441.065678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.065678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.059832 (E_RNA)
where:
Base-Base interactions energy: -1707.134
where: short stacking energy: -691.278
Base-Backbone interact. energy: -2.799
local terms energy: -734.126993
where:
bonds (distance) C4'-P energy: -146.119
bonds (distance) P-C4' energy: -135.160
flat angles C4'-P-C4' energy: -143.148
flat angles P-C4'-P energy: -99.198
tors. eta vs tors. theta energy: -210.503
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2295.351704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.351704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.975520 (E_RNA)
where:
Base-Base interactions energy: -1630.260
where: short stacking energy: -651.796
Base-Backbone interact. energy: -0.295
local terms energy: -674.420452
where:
bonds (distance) C4'-P energy: -108.869
bonds (distance) P-C4' energy: -135.809
flat angles C4'-P-C4' energy: -124.462
flat angles P-C4'-P energy: -97.657
tors. eta vs tors. theta energy: -207.624
Dist. restrs. and SS energy: 9.624 (S_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: 414
Temperature: 1.250000
Total energy: -2319.265278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.265278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.393650 (E_RNA)
where:
Base-Base interactions energy: -1644.448
where: short stacking energy: -675.633
Base-Backbone interact. energy: -0.136
local terms energy: -692.809682
where:
bonds (distance) C4'-P energy: -110.873
bonds (distance) P-C4' energy: -117.405
flat angles C4'-P-C4' energy: -164.033
flat angles P-C4'-P energy: -91.031
tors. eta vs tors. theta energy: -209.468
Dist. restrs. and SS energy: 18.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -2156.327388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.327388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.342252 (E_RNA)
where:
Base-Base interactions energy: -1536.356
where: short stacking energy: -609.314
Base-Backbone interact. energy: -3.885
local terms energy: -624.101997
where:
bonds (distance) C4'-P energy: -83.333
bonds (distance) P-C4' energy: -117.744
flat angles C4'-P-C4' energy: -143.479
flat angles P-C4'-P energy: -90.931
tors. eta vs tors. theta energy: -188.615
Dist. restrs. and SS energy: 8.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -2031.741085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.741085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.470441 (E_RNA)
where:
Base-Base interactions energy: -1470.620
where: short stacking energy: -581.396
Base-Backbone interact. energy: 2.813
local terms energy: -572.663280
where:
bonds (distance) C4'-P energy: -105.443
bonds (distance) P-C4' energy: -100.236
flat angles C4'-P-C4' energy: -120.271
flat angles P-C4'-P energy: -70.638
tors. eta vs tors. theta energy: -176.074
Dist. restrs. and SS energy: 8.729 (S_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: 415
Temperature: 0.900000
Total energy: -2784.017904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.017904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.607926 (E_RNA)
where:
Base-Base interactions energy: -1992.588
where: short stacking energy: -817.611
Base-Backbone interact. energy: -0.469
local terms energy: -799.549973
where:
bonds (distance) C4'-P energy: -122.741
bonds (distance) P-C4' energy: -138.556
flat angles C4'-P-C4' energy: -164.327
flat angles P-C4'-P energy: -122.612
tors. eta vs tors. theta energy: -251.314
Dist. restrs. and SS energy: 8.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2709.658758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.658758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.273651 (E_RNA)
where:
Base-Base interactions energy: -1934.262
where: short stacking energy: -793.438
Base-Backbone interact. energy: -2.057
local terms energy: -780.954498
where:
bonds (distance) C4'-P energy: -121.127
bonds (distance) P-C4' energy: -126.702
flat angles C4'-P-C4' energy: -159.279
flat angles P-C4'-P energy: -124.765
tors. eta vs tors. theta energy: -249.081
Dist. restrs. and SS energy: 7.615 (S_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: 415
Temperature: 1.000000
Total energy: -2651.169676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.169676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.049568 (E_RNA)
where:
Base-Base interactions energy: -1881.771
where: short stacking energy: -777.459
Base-Backbone interact. energy: -1.339
local terms energy: -775.938926
where:
bonds (distance) C4'-P energy: -141.219
bonds (distance) P-C4' energy: -122.303
flat angles C4'-P-C4' energy: -154.019
flat angles P-C4'-P energy: -116.015
tors. eta vs tors. theta energy: -242.382
Dist. restrs. and SS energy: 7.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2555.099149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.099149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.284182 (E_RNA)
where:
Base-Base interactions energy: -1829.017
where: short stacking energy: -725.056
Base-Backbone interact. energy: -1.870
local terms energy: -729.396444
where:
bonds (distance) C4'-P energy: -116.677
bonds (distance) P-C4' energy: -126.395
flat angles C4'-P-C4' energy: -146.470
flat angles P-C4'-P energy: -101.914
tors. eta vs tors. theta energy: -237.941
Dist. restrs. and SS energy: 5.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2471.499201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.499201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.037106 (E_RNA)
where:
Base-Base interactions energy: -1767.187
where: short stacking energy: -722.986
Base-Backbone interact. energy: -0.613
local terms energy: -711.237394
where:
bonds (distance) C4'-P energy: -111.045
bonds (distance) P-C4' energy: -132.303
flat angles C4'-P-C4' energy: -145.556
flat angles P-C4'-P energy: -104.706
tors. eta vs tors. theta energy: -217.628
Dist. restrs. and SS energy: 7.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2404.083069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.083069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.579247 (E_RNA)
where:
Base-Base interactions energy: -1708.786
where: short stacking energy: -694.654
Base-Backbone interact. energy: 1.613
local terms energy: -701.406418
where:
bonds (distance) C4'-P energy: -111.707
bonds (distance) P-C4' energy: -131.599
flat angles C4'-P-C4' energy: -153.870
flat angles P-C4'-P energy: -92.304
tors. eta vs tors. theta energy: -211.926
Dist. restrs. and SS energy: 4.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2339.240422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.240422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.450177 (E_RNA)
where:
Base-Base interactions energy: -1675.721
where: short stacking energy: -653.426
Base-Backbone interact. energy: -3.166
local terms energy: -665.563524
where:
bonds (distance) C4'-P energy: -116.436
bonds (distance) P-C4' energy: -110.034
flat angles C4'-P-C4' energy: -147.491
flat angles P-C4'-P energy: -95.152
tors. eta vs tors. theta energy: -196.451
Dist. restrs. and SS energy: 5.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2243.085736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.085736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.252205 (E_RNA)
where:
Base-Base interactions energy: -1615.501
where: short stacking energy: -641.293
Base-Backbone interact. energy: -1.206
local terms energy: -637.545355
where:
bonds (distance) C4'-P energy: -98.365
bonds (distance) P-C4' energy: -108.772
flat angles C4'-P-C4' energy: -137.759
flat angles P-C4'-P energy: -85.846
tors. eta vs tors. theta energy: -206.805
Dist. restrs. and SS energy: 11.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -2154.043090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.043090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.802551 (E_RNA)
where:
Base-Base interactions energy: -1561.115
where: short stacking energy: -612.797
Base-Backbone interact. energy: -0.956
local terms energy: -604.731654
where:
bonds (distance) C4'-P energy: -92.037
bonds (distance) P-C4' energy: -110.886
flat angles C4'-P-C4' energy: -131.863
flat angles P-C4'-P energy: -81.950
tors. eta vs tors. theta energy: -187.996
Dist. restrs. and SS energy: 12.759 (S_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: 415
Temperature: 1.350000
Total energy: -2082.805327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.805327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.769413 (E_RNA)
where:
Base-Base interactions energy: -1513.944
where: short stacking energy: -606.024
Base-Backbone interact. energy: -0.896
local terms energy: -578.929815
where:
bonds (distance) C4'-P energy: -79.642
bonds (distance) P-C4' energy: -91.585
flat angles C4'-P-C4' energy: -150.355
flat angles P-C4'-P energy: -75.282
tors. eta vs tors. theta energy: -182.066
Dist. restrs. and SS energy: 10.964 (S_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: 416
Temperature: 0.900000
Total energy: -2792.281963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.281963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.672353 (E_RNA)
where:
Base-Base interactions energy: -1977.161
where: short stacking energy: -801.732
Base-Backbone interact. energy: -2.189
local terms energy: -819.322421
where:
bonds (distance) C4'-P energy: -152.196
bonds (distance) P-C4' energy: -129.290
flat angles C4'-P-C4' energy: -167.717
flat angles P-C4'-P energy: -119.300
tors. eta vs tors. theta energy: -250.820
Dist. restrs. and SS energy: 6.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2720.142045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.142045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.338410 (E_RNA)
where:
Base-Base interactions energy: -1921.204
where: short stacking energy: -779.241
Base-Backbone interact. energy: -1.095
local terms energy: -807.039068
where:
bonds (distance) C4'-P energy: -129.920
bonds (distance) P-C4' energy: -141.736
flat angles C4'-P-C4' energy: -169.061
flat angles P-C4'-P energy: -126.973
tors. eta vs tors. theta energy: -239.350
Dist. restrs. and SS energy: 9.196 (S_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: -2645.812239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.812239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.610158 (E_RNA)
where:
Base-Base interactions energy: -1885.824
where: short stacking energy: -764.372
Base-Backbone interact. energy: -3.722
local terms energy: -762.063960
where:
bonds (distance) C4'-P energy: -125.784
bonds (distance) P-C4' energy: -120.899
flat angles C4'-P-C4' energy: -157.639
flat angles P-C4'-P energy: -118.640
tors. eta vs tors. theta energy: -239.101
Dist. restrs. and SS energy: 5.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2542.290823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.290823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.067094 (E_RNA)
where:
Base-Base interactions energy: -1812.037
where: short stacking energy: -721.939
Base-Backbone interact. energy: 8.288
local terms energy: -742.317706
where:
bonds (distance) C4'-P energy: -117.586
bonds (distance) P-C4' energy: -135.280
flat angles C4'-P-C4' energy: -157.148
flat angles P-C4'-P energy: -108.042
tors. eta vs tors. theta energy: -224.262
Dist. restrs. and SS energy: 3.776 (S_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: 416
Temperature: 1.100000
Total energy: -2446.663142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.663142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.184028 (E_RNA)
where:
Base-Base interactions energy: -1729.295
where: short stacking energy: -688.593
Base-Backbone interact. energy: 1.665
local terms energy: -727.553883
where:
bonds (distance) C4'-P energy: -137.110
bonds (distance) P-C4' energy: -113.073
flat angles C4'-P-C4' energy: -153.106
flat angles P-C4'-P energy: -108.374
tors. eta vs tors. theta energy: -215.891
Dist. restrs. and SS energy: 8.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2424.463034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.463034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.943944 (E_RNA)
where:
Base-Base interactions energy: -1737.011
where: short stacking energy: -710.311
Base-Backbone interact. energy: 0.632
local terms energy: -693.565415
where:
bonds (distance) C4'-P energy: -126.817
bonds (distance) P-C4' energy: -116.546
flat angles C4'-P-C4' energy: -140.534
flat angles P-C4'-P energy: -88.823
tors. eta vs tors. theta energy: -220.845
Dist. restrs. and SS energy: 5.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2301.661796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.661796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.492918 (E_RNA)
where:
Base-Base interactions energy: -1616.653
where: short stacking energy: -622.872
Base-Backbone interact. energy: -1.799
local terms energy: -691.040931
where:
bonds (distance) C4'-P energy: -137.889
bonds (distance) P-C4' energy: -126.363
flat angles C4'-P-C4' energy: -133.611
flat angles P-C4'-P energy: -89.817
tors. eta vs tors. theta energy: -203.361
Dist. restrs. and SS energy: 7.831 (S_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: 416
Temperature: 1.250000
Total energy: -2190.093582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.093582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.322352 (E_RNA)
where:
Base-Base interactions energy: -1572.001
where: short stacking energy: -643.275
Base-Backbone interact. energy: -1.783
local terms energy: -623.539309
where:
bonds (distance) C4'-P energy: -116.176
bonds (distance) P-C4' energy: -106.389
flat angles C4'-P-C4' energy: -120.686
flat angles P-C4'-P energy: -84.992
tors. eta vs tors. theta energy: -195.296
Dist. restrs. and SS energy: 7.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -2123.313690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.313690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.162239 (E_RNA)
where:
Base-Base interactions energy: -1551.391
where: short stacking energy: -605.240
Base-Backbone interact. energy: -5.204
local terms energy: -575.567445
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -105.172
flat angles C4'-P-C4' energy: -131.348
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -192.086
Dist. restrs. and SS energy: 8.849 (S_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: 416
Temperature: 1.350000
Total energy: -2061.430464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.430464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.025905 (E_RNA)
where:
Base-Base interactions energy: -1503.884
where: short stacking energy: -593.961
Base-Backbone interact. energy: -1.602
local terms energy: -569.539566
where:
bonds (distance) C4'-P energy: -84.633
bonds (distance) P-C4' energy: -99.802
flat angles C4'-P-C4' energy: -136.146
flat angles P-C4'-P energy: -73.822
tors. eta vs tors. theta energy: -175.137
Dist. restrs. and SS energy: 13.595 (S_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: 417
Temperature: 0.900000
Total energy: -2799.151117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.151117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.440581 (E_RNA)
where:
Base-Base interactions energy: -1989.793
where: short stacking energy: -806.777
Base-Backbone interact. energy: -3.906
local terms energy: -812.742364
where:
bonds (distance) C4'-P energy: -148.312
bonds (distance) P-C4' energy: -140.327
flat angles C4'-P-C4' energy: -158.490
flat angles P-C4'-P energy: -107.215
tors. eta vs tors. theta energy: -258.398
Dist. restrs. and SS energy: 7.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2704.942453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.942453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.855808 (E_RNA)
where:
Base-Base interactions energy: -1905.099
where: short stacking energy: -785.136
Base-Backbone interact. energy: -0.782
local terms energy: -808.975105
where:
bonds (distance) C4'-P energy: -137.912
bonds (distance) P-C4' energy: -133.278
flat angles C4'-P-C4' energy: -168.110
flat angles P-C4'-P energy: -120.004
tors. eta vs tors. theta energy: -249.672
Dist. restrs. and SS energy: 9.913 (S_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: -2657.314719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.314719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.617120 (E_RNA)
where:
Base-Base interactions energy: -1886.093
where: short stacking energy: -781.849
Base-Backbone interact. energy: -3.395
local terms energy: -775.129044
where:
bonds (distance) C4'-P energy: -130.776
bonds (distance) P-C4' energy: -125.566
flat angles C4'-P-C4' energy: -156.175
flat angles P-C4'-P energy: -108.819
tors. eta vs tors. theta energy: -253.792
Dist. restrs. and SS energy: 7.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2563.667988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.667988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.789524 (E_RNA)
where:
Base-Base interactions energy: -1796.759
where: short stacking energy: -719.261
Base-Backbone interact. energy: 0.237
local terms energy: -772.267582
where:
bonds (distance) C4'-P energy: -140.618
bonds (distance) P-C4' energy: -124.651
flat angles C4'-P-C4' energy: -158.606
flat angles P-C4'-P energy: -116.243
tors. eta vs tors. theta energy: -232.150
Dist. restrs. and SS energy: 5.122 (S_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: 417
Temperature: 1.100000
Total energy: -2462.823302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.823302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.171517 (E_RNA)
where:
Base-Base interactions energy: -1740.105
where: short stacking energy: -687.785
Base-Backbone interact. energy: -0.076
local terms energy: -730.990457
where:
bonds (distance) C4'-P energy: -115.848
bonds (distance) P-C4' energy: -149.548
flat angles C4'-P-C4' energy: -151.991
flat angles P-C4'-P energy: -104.239
tors. eta vs tors. theta energy: -209.364
Dist. restrs. and SS energy: 8.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2388.281421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.281421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.633930 (E_RNA)
where:
Base-Base interactions energy: -1701.907
where: short stacking energy: -694.815
Base-Backbone interact. energy: -1.745
local terms energy: -691.982229
where:
bonds (distance) C4'-P energy: -120.997
bonds (distance) P-C4' energy: -108.516
flat angles C4'-P-C4' energy: -138.638
flat angles P-C4'-P energy: -106.435
tors. eta vs tors. theta energy: -217.396
Dist. restrs. and SS energy: 7.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2340.540315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.540315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.477952 (E_RNA)
where:
Base-Base interactions energy: -1680.819
where: short stacking energy: -680.123
Base-Backbone interact. energy: -3.075
local terms energy: -659.583070
where:
bonds (distance) C4'-P energy: -120.155
bonds (distance) P-C4' energy: -117.810
flat angles C4'-P-C4' energy: -126.469
flat angles P-C4'-P energy: -97.908
tors. eta vs tors. theta energy: -197.241
Dist. restrs. and SS energy: 2.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -2208.117667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.117667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.104092 (E_RNA)
where:
Base-Base interactions energy: -1591.378
where: short stacking energy: -604.848
Base-Backbone interact. energy: -0.281
local terms energy: -621.445024
where:
bonds (distance) C4'-P energy: -106.393
bonds (distance) P-C4' energy: -98.778
flat angles C4'-P-C4' energy: -130.314
flat angles P-C4'-P energy: -99.611
tors. eta vs tors. theta energy: -186.350
Dist. restrs. and SS energy: 4.986 (S_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: 417
Temperature: 1.300000
Total energy: -2146.291282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.291282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.300352 (E_RNA)
where:
Base-Base interactions energy: -1539.762
where: short stacking energy: -612.357
Base-Backbone interact. energy: 3.040
local terms energy: -620.578776
where:
bonds (distance) C4'-P energy: -114.870
bonds (distance) P-C4' energy: -113.437
flat angles C4'-P-C4' energy: -135.013
flat angles P-C4'-P energy: -90.592
tors. eta vs tors. theta energy: -166.667
Dist. restrs. and SS energy: 11.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -2100.484155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.484155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.350854 (E_RNA)
where:
Base-Base interactions energy: -1515.192
where: short stacking energy: -592.911
Base-Backbone interact. energy: -1.862
local terms energy: -598.297097
where:
bonds (distance) C4'-P energy: -85.766
bonds (distance) P-C4' energy: -118.353
flat angles C4'-P-C4' energy: -128.095
flat angles P-C4'-P energy: -86.519
tors. eta vs tors. theta energy: -179.565
Dist. restrs. and SS energy: 14.867 (S_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: 418
Temperature: 0.900000
Total energy: -2791.273334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.273334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.838997 (E_RNA)
where:
Base-Base interactions energy: -1995.834
where: short stacking energy: -812.400
Base-Backbone interact. energy: -4.640
local terms energy: -797.365397
where:
bonds (distance) C4'-P energy: -124.796
bonds (distance) P-C4' energy: -144.447
flat angles C4'-P-C4' energy: -159.352
flat angles P-C4'-P energy: -118.407
tors. eta vs tors. theta energy: -250.363
Dist. restrs. and SS energy: 6.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2706.033946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.033946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.228594 (E_RNA)
where:
Base-Base interactions energy: -1922.118
where: short stacking energy: -776.035
Base-Backbone interact. energy: -1.377
local terms energy: -790.733507
where:
bonds (distance) C4'-P energy: -128.585
bonds (distance) P-C4' energy: -143.371
flat angles C4'-P-C4' energy: -162.948
flat angles P-C4'-P energy: -109.891
tors. eta vs tors. theta energy: -245.939
Dist. restrs. and SS energy: 8.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2627.185835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.185835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.780063 (E_RNA)
where:
Base-Base interactions energy: -1883.594
where: short stacking energy: -768.840
Base-Backbone interact. energy: -1.064
local terms energy: -746.122215
where:
bonds (distance) C4'-P energy: -132.693
bonds (distance) P-C4' energy: -117.735
flat angles C4'-P-C4' energy: -167.063
flat angles P-C4'-P energy: -99.677
tors. eta vs tors. theta energy: -228.955
Dist. restrs. and SS energy: 3.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2570.691125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.691125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.847035 (E_RNA)
where:
Base-Base interactions energy: -1833.069
where: short stacking energy: -758.613
Base-Backbone interact. energy: -0.468
local terms energy: -744.310191
where:
bonds (distance) C4'-P energy: -114.340
bonds (distance) P-C4' energy: -142.163
flat angles C4'-P-C4' energy: -150.890
flat angles P-C4'-P energy: -99.264
tors. eta vs tors. theta energy: -237.653
Dist. restrs. and SS energy: 7.156 (S_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: 418
Temperature: 1.100000
Total energy: -2517.766510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.766510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.463641 (E_RNA)
where:
Base-Base interactions energy: -1801.921
where: short stacking energy: -756.577
Base-Backbone interact. energy: -1.408
local terms energy: -725.134548
where:
bonds (distance) C4'-P energy: -113.718
bonds (distance) P-C4' energy: -116.682
flat angles C4'-P-C4' energy: -144.802
flat angles P-C4'-P energy: -107.100
tors. eta vs tors. theta energy: -242.833
Dist. restrs. and SS energy: 10.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2406.726538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.726538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.222957 (E_RNA)
where:
Base-Base interactions energy: -1719.985
where: short stacking energy: -687.849
Base-Backbone interact. energy: 0.515
local terms energy: -691.753057
where:
bonds (distance) C4'-P energy: -137.048
bonds (distance) P-C4' energy: -117.971
flat angles C4'-P-C4' energy: -128.744
flat angles P-C4'-P energy: -100.631
tors. eta vs tors. theta energy: -207.359
Dist. restrs. and SS energy: 4.496 (S_DIST_RNA)
chem. 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: -2343.695425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.695425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.984394 (E_RNA)
where:
Base-Base interactions energy: -1683.962
where: short stacking energy: -685.721
Base-Backbone interact. energy: 2.393
local terms energy: -670.415244
where:
bonds (distance) C4'-P energy: -98.250
bonds (distance) P-C4' energy: -119.132
flat angles C4'-P-C4' energy: -165.366
flat angles P-C4'-P energy: -79.887
tors. eta vs tors. theta energy: -207.781
Dist. restrs. and SS energy: 8.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2205.464523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.464523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.301019 (E_RNA)
where:
Base-Base interactions energy: -1569.082
where: short stacking energy: -619.815
Base-Backbone interact. energy: -0.259
local terms energy: -646.960346
where:
bonds (distance) C4'-P energy: -126.388
bonds (distance) P-C4' energy: -112.863
flat angles C4'-P-C4' energy: -126.301
flat angles P-C4'-P energy: -99.351
tors. eta vs tors. theta energy: -182.057
Dist. restrs. and SS energy: 10.836 (S_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: 418
Temperature: 1.300000
Total energy: -2166.901757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.901757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.567591 (E_RNA)
where:
Base-Base interactions energy: -1548.577
where: short stacking energy: -606.298
Base-Backbone interact. energy: -2.471
local terms energy: -625.519077
where:
bonds (distance) C4'-P energy: -103.161
bonds (distance) P-C4' energy: -116.464
flat angles C4'-P-C4' energy: -133.436
flat angles P-C4'-P energy: -83.288
tors. eta vs tors. theta energy: -189.169
Dist. restrs. and SS energy: 9.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -2049.630976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.630976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.993461 (E_RNA)
where:
Base-Base interactions energy: -1457.381
where: short stacking energy: -590.866
Base-Backbone interact. energy: 4.515
local terms energy: -611.127606
where:
bonds (distance) C4'-P energy: -92.683
bonds (distance) P-C4' energy: -110.730
flat angles C4'-P-C4' energy: -141.829
flat angles P-C4'-P energy: -89.844
tors. eta vs tors. theta energy: -176.042
Dist. restrs. and SS energy: 14.362 (S_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: 419
Temperature: 0.900000
Total energy: -2793.658613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.658613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.908330 (E_RNA)
where:
Base-Base interactions energy: -1979.872
where: short stacking energy: -808.416
Base-Backbone interact. energy: 3.392
local terms energy: -824.428755
where:
bonds (distance) C4'-P energy: -148.010
bonds (distance) P-C4' energy: -138.370
flat angles C4'-P-C4' energy: -164.556
flat angles P-C4'-P energy: -121.242
tors. eta vs tors. theta energy: -252.251
Dist. restrs. and SS energy: 7.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2704.208665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.208665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.726798 (E_RNA)
where:
Base-Base interactions energy: -1925.122
where: short stacking energy: -781.827
Base-Backbone interact. energy: -3.997
local terms energy: -786.606916
where:
bonds (distance) C4'-P energy: -130.506
bonds (distance) P-C4' energy: -136.339
flat angles C4'-P-C4' energy: -163.550
flat angles P-C4'-P energy: -114.618
tors. eta vs tors. theta energy: -241.595
Dist. restrs. and SS energy: 11.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2624.124507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.124507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.520257 (E_RNA)
where:
Base-Base interactions energy: -1863.857
where: short stacking energy: -767.474
Base-Backbone interact. energy: 2.502
local terms energy: -766.165258
where:
bonds (distance) C4'-P energy: -134.791
bonds (distance) P-C4' energy: -126.042
flat angles C4'-P-C4' energy: -157.623
flat angles P-C4'-P energy: -115.842
tors. eta vs tors. theta energy: -231.867
Dist. restrs. and SS energy: 3.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2595.506043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.506043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.828212 (E_RNA)
where:
Base-Base interactions energy: -1852.036
where: short stacking energy: -750.091
Base-Backbone interact. energy: -1.776
local terms energy: -750.017120
where:
bonds (distance) C4'-P energy: -124.300
bonds (distance) P-C4' energy: -122.513
flat angles C4'-P-C4' energy: -153.311
flat angles P-C4'-P energy: -117.289
tors. eta vs tors. theta energy: -232.604
Dist. restrs. and SS energy: 8.322 (S_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: 419
Temperature: 1.100000
Total energy: -2509.853504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.853504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.145529 (E_RNA)
where:
Base-Base interactions energy: -1803.117
where: short stacking energy: -738.165
Base-Backbone interact. energy: -0.505
local terms energy: -715.523817
where:
bonds (distance) C4'-P energy: -116.613
bonds (distance) P-C4' energy: -112.700
flat angles C4'-P-C4' energy: -145.754
flat angles P-C4'-P energy: -112.172
tors. eta vs tors. theta energy: -228.286
Dist. restrs. and SS energy: 9.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2378.255057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.255057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.349497 (E_RNA)
where:
Base-Base interactions energy: -1719.093
where: short stacking energy: -682.716
Base-Backbone interact. energy: -1.240
local terms energy: -663.016027
where:
bonds (distance) C4'-P energy: -104.543
bonds (distance) P-C4' energy: -124.711
flat angles C4'-P-C4' energy: -126.086
flat angles P-C4'-P energy: -100.309
tors. eta vs tors. theta energy: -207.367
Dist. restrs. and SS energy: 5.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2330.554114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.554114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.707728 (E_RNA)
where:
Base-Base interactions energy: -1684.716
where: short stacking energy: -646.522
Base-Backbone interact. energy: -0.773
local terms energy: -651.218094
where:
bonds (distance) C4'-P energy: -116.496
bonds (distance) P-C4' energy: -103.352
flat angles C4'-P-C4' energy: -149.130
flat angles P-C4'-P energy: -87.564
tors. eta vs tors. theta energy: -194.676
Dist. restrs. and SS energy: 6.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -2230.259697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.259697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.756634 (E_RNA)
where:
Base-Base interactions energy: -1607.844
where: short stacking energy: -647.396
Base-Backbone interact. energy: 4.691
local terms energy: -629.603599
where:
bonds (distance) C4'-P energy: -84.427
bonds (distance) P-C4' energy: -121.005
flat angles C4'-P-C4' energy: -134.958
flat angles P-C4'-P energy: -96.014
tors. eta vs tors. theta energy: -193.199
Dist. restrs. and SS energy: 2.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -2059.388034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.388034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.877166 (E_RNA)
where:
Base-Base interactions energy: -1449.745
where: short stacking energy: -582.688
Base-Backbone interact. energy: -1.073
local terms energy: -625.059319
where:
bonds (distance) C4'-P energy: -108.463
bonds (distance) P-C4' energy: -125.468
flat angles C4'-P-C4' energy: -131.344
flat angles P-C4'-P energy: -89.059
tors. eta vs tors. theta energy: -170.725
Dist. restrs. and SS energy: 16.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -2036.453645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.453645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.091943 (E_RNA)
where:
Base-Base interactions energy: -1439.250
where: short stacking energy: -573.634
Base-Backbone interact. energy: -3.254
local terms energy: -610.587828
where:
bonds (distance) C4'-P energy: -119.214
bonds (distance) P-C4' energy: -120.164
flat angles C4'-P-C4' energy: -131.549
flat angles P-C4'-P energy: -67.054
tors. eta vs tors. theta energy: -172.607
Dist. restrs. and SS energy: 16.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2831.683449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.683449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.331512 (E_RNA)
where:
Base-Base interactions energy: -1998.495
where: short stacking energy: -803.107
Base-Backbone interact. energy: -1.231
local terms energy: -839.605564
where:
bonds (distance) C4'-P energy: -148.152
bonds (distance) P-C4' energy: -144.103
flat angles C4'-P-C4' energy: -173.142
flat angles P-C4'-P energy: -116.583
tors. eta vs tors. theta energy: -257.625
Dist. restrs. and SS energy: 7.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2739.249786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.249786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.789110 (E_RNA)
where:
Base-Base interactions energy: -1937.149
where: short stacking energy: -794.516
Base-Backbone interact. energy: -2.497
local terms energy: -811.142843
where:
bonds (distance) C4'-P energy: -134.356
bonds (distance) P-C4' energy: -140.175
flat angles C4'-P-C4' energy: -174.430
flat angles P-C4'-P energy: -113.365
tors. eta vs tors. theta energy: -248.818
Dist. restrs. and SS energy: 11.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2647.147596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.147596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.756649 (E_RNA)
where:
Base-Base interactions energy: -1887.175
where: short stacking energy: -769.416
Base-Backbone interact. energy: -2.873
local terms energy: -763.708968
where:
bonds (distance) C4'-P energy: -135.535
bonds (distance) P-C4' energy: -126.200
flat angles C4'-P-C4' energy: -156.989
flat angles P-C4'-P energy: -109.011
tors. eta vs tors. theta energy: -235.975
Dist. restrs. and SS energy: 6.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2578.635088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.635088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.593731 (E_RNA)
where:
Base-Base interactions energy: -1809.283
where: short stacking energy: -760.416
Base-Backbone interact. energy: -2.243
local terms energy: -772.066981
where:
bonds (distance) C4'-P energy: -137.421
bonds (distance) P-C4' energy: -129.028
flat angles C4'-P-C4' energy: -159.001
flat angles P-C4'-P energy: -108.909
tors. eta vs tors. theta energy: -237.709
Dist. restrs. and SS energy: 4.959 (S_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: 420
Temperature: 1.100000
Total energy: -2533.453137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.453137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.060959 (E_RNA)
where:
Base-Base interactions energy: -1805.199
where: short stacking energy: -737.731
Base-Backbone interact. energy: -2.786
local terms energy: -735.075794
where:
bonds (distance) C4'-P energy: -127.109
bonds (distance) P-C4' energy: -115.507
flat angles C4'-P-C4' energy: -147.290
flat angles P-C4'-P energy: -117.014
tors. eta vs tors. theta energy: -228.156
Dist. restrs. and SS energy: 9.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2454.734975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.734975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.931788 (E_RNA)
where:
Base-Base interactions energy: -1732.345
where: short stacking energy: -711.258
Base-Backbone interact. energy: -1.439
local terms energy: -726.148351
where:
bonds (distance) C4'-P energy: -133.997
bonds (distance) P-C4' energy: -125.961
flat angles C4'-P-C4' energy: -145.311
flat angles P-C4'-P energy: -98.014
tors. eta vs tors. theta energy: -222.866
Dist. restrs. and SS energy: 5.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2332.915600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.915600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.688381 (E_RNA)
where:
Base-Base interactions energy: -1648.640
where: short stacking energy: -635.797
Base-Backbone interact. energy: -1.701
local terms energy: -691.347174
where:
bonds (distance) C4'-P energy: -128.528
bonds (distance) P-C4' energy: -108.762
flat angles C4'-P-C4' energy: -146.102
flat angles P-C4'-P energy: -108.275
tors. eta vs tors. theta energy: -199.679
Dist. restrs. and SS energy: 8.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2263.202552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.202552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.842945 (E_RNA)
where:
Base-Base interactions energy: -1622.232
where: short stacking energy: -638.962
Base-Backbone interact. energy: -0.940
local terms energy: -644.670764
where:
bonds (distance) C4'-P energy: -112.201
bonds (distance) P-C4' energy: -125.285
flat angles C4'-P-C4' energy: -131.498
flat angles P-C4'-P energy: -91.830
tors. eta vs tors. theta energy: -183.856
Dist. restrs. and SS energy: 4.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -2114.448145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.448145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.227782 (E_RNA)
where:
Base-Base interactions energy: -1484.295
where: short stacking energy: -561.580
Base-Backbone interact. energy: 2.663
local terms energy: -642.596265
where:
bonds (distance) C4'-P energy: -117.680
bonds (distance) P-C4' energy: -131.593
flat angles C4'-P-C4' energy: -140.729
flat angles P-C4'-P energy: -79.225
tors. eta vs tors. theta energy: -173.369
Dist. restrs. and SS energy: 9.780 (S_DIST_RNA)
chem. 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: -2056.441293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.441293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.049424 (E_RNA)
where:
Base-Base interactions energy: -1475.550
where: short stacking energy: -569.332
Base-Backbone interact. energy: 0.605
local terms energy: -593.104178
where:
bonds (distance) C4'-P energy: -93.806
bonds (distance) P-C4' energy: -115.294
flat angles C4'-P-C4' energy: -129.826
flat angles P-C4'-P energy: -78.600
tors. eta vs tors. theta energy: -175.579
Dist. restrs. and SS energy: 11.608 (S_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: 421
Temperature: 0.900000
Total energy: -2827.955331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.955331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.638752 (E_RNA)
where:
Base-Base interactions energy: -2008.565
where: short stacking energy: -813.053
Base-Backbone interact. energy: -1.808
local terms energy: -824.265643
where:
bonds (distance) C4'-P energy: -149.780
bonds (distance) P-C4' energy: -130.255
flat angles C4'-P-C4' energy: -169.703
flat angles P-C4'-P energy: -119.508
tors. eta vs tors. theta energy: -255.019
Dist. restrs. and SS energy: 6.683 (S_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: -2692.520501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.520501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.764775 (E_RNA)
where:
Base-Base interactions energy: -1942.649
where: short stacking energy: -793.829
Base-Backbone interact. energy: -1.061
local terms energy: -758.054841
where:
bonds (distance) C4'-P energy: -133.752
bonds (distance) P-C4' energy: -111.499
flat angles C4'-P-C4' energy: -149.284
flat angles P-C4'-P energy: -118.339
tors. eta vs tors. theta energy: -245.182
Dist. restrs. and SS energy: 9.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2674.360191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.360191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.058714 (E_RNA)
where:
Base-Base interactions energy: -1909.623
where: short stacking energy: -779.638
Base-Backbone interact. energy: -2.623
local terms energy: -771.813154
where:
bonds (distance) C4'-P energy: -136.913
bonds (distance) P-C4' energy: -122.367
flat angles C4'-P-C4' energy: -153.795
flat angles P-C4'-P energy: -112.899
tors. eta vs tors. theta energy: -245.839
Dist. restrs. and SS energy: 9.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2559.233271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.233271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.832919 (E_RNA)
where:
Base-Base interactions energy: -1819.905
where: short stacking energy: -754.202
Base-Backbone interact. energy: -2.577
local terms energy: -741.350814
where:
bonds (distance) C4'-P energy: -109.895
bonds (distance) P-C4' energy: -152.029
flat angles C4'-P-C4' energy: -150.757
flat angles P-C4'-P energy: -100.266
tors. eta vs tors. theta energy: -228.404
Dist. restrs. and SS energy: 4.600 (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: 421
Temperature: 1.100000
Total energy: -2559.137793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.137793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.568084 (E_RNA)
where:
Base-Base interactions energy: -1820.076
where: short stacking energy: -747.321
Base-Backbone interact. energy: 2.018
local terms energy: -747.509633
where:
bonds (distance) C4'-P energy: -130.894
bonds (distance) P-C4' energy: -133.047
flat angles C4'-P-C4' energy: -153.124
flat angles P-C4'-P energy: -98.788
tors. eta vs tors. theta energy: -231.656
Dist. restrs. and SS energy: 6.430 (S_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: 421
Temperature: 1.150000
Total energy: -2358.850882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.850882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.255263 (E_RNA)
where:
Base-Base interactions energy: -1659.570
where: short stacking energy: -673.755
Base-Backbone interact. energy: -1.123
local terms energy: -703.562771
where:
bonds (distance) C4'-P energy: -125.703
bonds (distance) P-C4' energy: -123.767
flat angles C4'-P-C4' energy: -140.318
flat angles P-C4'-P energy: -101.086
tors. eta vs tors. theta energy: -212.689
Dist. restrs. and SS energy: 5.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2363.805035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.805035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.923669 (E_RNA)
where:
Base-Base interactions energy: -1747.161
where: short stacking energy: -705.381
Base-Backbone interact. energy: -1.949
local terms energy: -618.813750
where:
bonds (distance) C4'-P energy: -109.404
bonds (distance) P-C4' energy: -91.157
flat angles C4'-P-C4' energy: -115.323
flat angles P-C4'-P energy: -87.123
tors. eta vs tors. theta energy: -215.806
Dist. restrs. and SS energy: 4.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2181.439798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.439798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.523406 (E_RNA)
where:
Base-Base interactions energy: -1575.282
where: short stacking energy: -613.488
Base-Backbone interact. energy: -0.919
local terms energy: -619.322573
where:
bonds (distance) C4'-P energy: -106.637
bonds (distance) P-C4' energy: -113.125
flat angles C4'-P-C4' energy: -131.974
flat angles P-C4'-P energy: -85.406
tors. eta vs tors. theta energy: -182.181
Dist. restrs. and SS energy: 14.084 (S_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: 421
Temperature: 1.300000
Total energy: -2199.270212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.270212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.058089 (E_RNA)
where:
Base-Base interactions energy: -1559.814
where: short stacking energy: -616.538
Base-Backbone interact. energy: 1.153
local terms energy: -647.397424
where:
bonds (distance) C4'-P energy: -123.857
bonds (distance) P-C4' energy: -107.725
flat angles C4'-P-C4' energy: -139.163
flat angles P-C4'-P energy: -92.716
tors. eta vs tors. theta energy: -183.936
Dist. restrs. and SS energy: 6.788 (S_DIST_RNA)
chem. 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: -2060.576511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.576511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.664918 (E_RNA)
where:
Base-Base interactions energy: -1493.713
where: short stacking energy: -582.274
Base-Backbone interact. energy: 3.210
local terms energy: -577.161093
where:
bonds (distance) C4'-P energy: -119.108
bonds (distance) P-C4' energy: -106.111
flat angles C4'-P-C4' energy: -110.711
flat angles P-C4'-P energy: -64.975
tors. eta vs tors. theta energy: -176.257
Dist. restrs. and SS energy: 7.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2801.645941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.645941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.630729 (E_RNA)
where:
Base-Base interactions energy: -1996.271
where: short stacking energy: -783.420
Base-Backbone interact. energy: 0.437
local terms energy: -812.796408
where:
bonds (distance) C4'-P energy: -149.429
bonds (distance) P-C4' energy: -128.238
flat angles C4'-P-C4' energy: -171.040
flat angles P-C4'-P energy: -111.561
tors. eta vs tors. theta energy: -252.529
Dist. restrs. and SS energy: 6.985 (S_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: -2678.698292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.698292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.110744 (E_RNA)
where:
Base-Base interactions energy: -1890.222
where: short stacking energy: -776.858
Base-Backbone interact. energy: -2.056
local terms energy: -790.832377
where:
bonds (distance) C4'-P energy: -142.387
bonds (distance) P-C4' energy: -137.484
flat angles C4'-P-C4' energy: -163.549
flat angles P-C4'-P energy: -112.665
tors. eta vs tors. theta energy: -234.747
Dist. restrs. and SS energy: 4.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2637.057399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.057399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.349564 (E_RNA)
where:
Base-Base interactions energy: -1865.430
where: short stacking energy: -764.896
Base-Backbone interact. energy: -0.165
local terms energy: -781.753808
where:
bonds (distance) C4'-P energy: -127.284
bonds (distance) P-C4' energy: -137.442
flat angles C4'-P-C4' energy: -170.568
flat angles P-C4'-P energy: -108.034
tors. eta vs tors. theta energy: -238.427
Dist. restrs. and SS energy: 10.292 (S_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: 422
Temperature: 1.050000
Total energy: -2603.205712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.205712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.930530 (E_RNA)
where:
Base-Base interactions energy: -1849.079
where: short stacking energy: -771.013
Base-Backbone interact. energy: -1.111
local terms energy: -757.740645
where:
bonds (distance) C4'-P energy: -118.901
bonds (distance) P-C4' energy: -127.857
flat angles C4'-P-C4' energy: -163.506
flat angles P-C4'-P energy: -108.845
tors. eta vs tors. theta energy: -238.632
Dist. restrs. and SS energy: 4.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2528.532274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.532274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.054076 (E_RNA)
where:
Base-Base interactions energy: -1796.931
where: short stacking energy: -719.629
Base-Backbone interact. energy: -1.510
local terms energy: -736.613203
where:
bonds (distance) C4'-P energy: -139.197
bonds (distance) P-C4' energy: -120.806
flat angles C4'-P-C4' energy: -150.635
flat angles P-C4'-P energy: -105.493
tors. eta vs tors. theta energy: -220.482
Dist. restrs. and SS energy: 6.522 (S_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: 422
Temperature: 1.150000
Total energy: -2403.108327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.108327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.886996 (E_RNA)
where:
Base-Base interactions energy: -1704.876
where: short stacking energy: -710.107
Base-Backbone interact. energy: -0.526
local terms energy: -704.485232
where:
bonds (distance) C4'-P energy: -119.529
bonds (distance) P-C4' energy: -114.202
flat angles C4'-P-C4' energy: -148.739
flat angles P-C4'-P energy: -98.557
tors. eta vs tors. theta energy: -223.458
Dist. restrs. and SS energy: 6.779 (S_DIST_RNA)
chem. 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: -2310.659035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.659035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.609156 (E_RNA)
where:
Base-Base interactions energy: -1661.998
where: short stacking energy: -664.771
Base-Backbone interact. energy: -0.195
local terms energy: -655.416411
where:
bonds (distance) C4'-P energy: -116.093
bonds (distance) P-C4' energy: -129.559
flat angles C4'-P-C4' energy: -135.617
flat angles P-C4'-P energy: -71.966
tors. eta vs tors. theta energy: -202.182
Dist. restrs. and SS energy: 6.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2175.977633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.977633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.790417 (E_RNA)
where:
Base-Base interactions energy: -1586.759
where: short stacking energy: -657.282
Base-Backbone interact. energy: -0.505
local terms energy: -605.526407
where:
bonds (distance) C4'-P energy: -107.946
bonds (distance) P-C4' energy: -102.184
flat angles C4'-P-C4' energy: -118.196
flat angles P-C4'-P energy: -90.914
tors. eta vs tors. theta energy: -186.287
Dist. restrs. and SS energy: 16.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -2159.939715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.939715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.318387 (E_RNA)
where:
Base-Base interactions energy: -1540.272
where: short stacking energy: -622.948
Base-Backbone interact. energy: -1.750
local terms energy: -629.296523
where:
bonds (distance) C4'-P energy: -123.413
bonds (distance) P-C4' energy: -110.176
flat angles C4'-P-C4' energy: -142.325
flat angles P-C4'-P energy: -76.404
tors. eta vs tors. theta energy: -176.978
Dist. restrs. and SS energy: 11.379 (S_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: 422
Temperature: 1.350000
Total energy: -2150.192289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.192289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.182109 (E_RNA)
where:
Base-Base interactions energy: -1574.064
where: short stacking energy: -622.238
Base-Backbone interact. energy: -1.664
local terms energy: -579.454993
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -107.320
flat angles C4'-P-C4' energy: -132.420
flat angles P-C4'-P energy: -79.086
tors. eta vs tors. theta energy: -183.292
Dist. restrs. and SS energy: 4.990 (S_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: 423
Temperature: 0.900000
Total energy: -2799.088476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.088476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.662477 (E_RNA)
where:
Base-Base interactions energy: -2000.383
where: short stacking energy: -821.601
Base-Backbone interact. energy: 6.705
local terms energy: -811.984407
where:
bonds (distance) C4'-P energy: -152.819
bonds (distance) P-C4' energy: -126.567
flat angles C4'-P-C4' energy: -173.534
flat angles P-C4'-P energy: -115.066
tors. eta vs tors. theta energy: -243.999
Dist. restrs. and SS energy: 6.574 (S_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: -2678.075001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.075001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.483962 (E_RNA)
where:
Base-Base interactions energy: -1888.542
where: short stacking energy: -763.804
Base-Backbone interact. energy: -2.645
local terms energy: -797.296922
where:
bonds (distance) C4'-P energy: -140.238
bonds (distance) P-C4' energy: -134.504
flat angles C4'-P-C4' energy: -164.318
flat angles P-C4'-P energy: -116.370
tors. eta vs tors. theta energy: -241.868
Dist. restrs. and SS energy: 10.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2650.792327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.792327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.554192 (E_RNA)
where:
Base-Base interactions energy: -1863.513
where: short stacking energy: -760.664
Base-Backbone interact. energy: -3.276
local terms energy: -795.765036
where:
bonds (distance) C4'-P energy: -147.251
bonds (distance) P-C4' energy: -139.863
flat angles C4'-P-C4' energy: -164.266
flat angles P-C4'-P energy: -109.697
tors. eta vs tors. theta energy: -234.687
Dist. restrs. and SS energy: 11.762 (S_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: 423
Temperature: 1.050000
Total energy: -2588.315529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.315529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.664233 (E_RNA)
where:
Base-Base interactions energy: -1838.058
where: short stacking energy: -760.263
Base-Backbone interact. energy: 0.854
local terms energy: -756.460860
where:
bonds (distance) C4'-P energy: -133.295
bonds (distance) P-C4' energy: -129.763
flat angles C4'-P-C4' energy: -153.565
flat angles P-C4'-P energy: -94.850
tors. eta vs tors. theta energy: -244.987
Dist. restrs. and SS energy: 5.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2512.170769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.170769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.728680 (E_RNA)
where:
Base-Base interactions energy: -1794.808
where: short stacking energy: -725.139
Base-Backbone interact. energy: -2.534
local terms energy: -723.386316
where:
bonds (distance) C4'-P energy: -107.424
bonds (distance) P-C4' energy: -123.827
flat angles C4'-P-C4' energy: -154.288
flat angles P-C4'-P energy: -106.842
tors. eta vs tors. theta energy: -231.006
Dist. restrs. and SS energy: 8.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2432.582327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.582327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.408697 (E_RNA)
where:
Base-Base interactions energy: -1736.353
where: short stacking energy: -722.146
Base-Backbone interact. energy: -2.165
local terms energy: -699.890727
where:
bonds (distance) C4'-P energy: -114.029
bonds (distance) P-C4' energy: -127.630
flat angles C4'-P-C4' energy: -148.687
flat angles P-C4'-P energy: -86.936
tors. eta vs tors. theta energy: -222.609
Dist. restrs. and SS energy: 5.826 (S_DIST_RNA)
chem. 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: -2316.717914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.717914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.461287 (E_RNA)
where:
Base-Base interactions energy: -1638.777
where: short stacking energy: -637.512
Base-Backbone interact. energy: 0.857
local terms energy: -689.541856
where:
bonds (distance) C4'-P energy: -130.128
bonds (distance) P-C4' energy: -119.392
flat angles C4'-P-C4' energy: -141.477
flat angles P-C4'-P energy: -102.385
tors. eta vs tors. theta energy: -196.161
Dist. restrs. and SS energy: 10.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2209.429272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.429272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.215555 (E_RNA)
where:
Base-Base interactions energy: -1569.680
where: short stacking energy: -642.155
Base-Backbone interact. energy: -2.594
local terms energy: -642.941916
where:
bonds (distance) C4'-P energy: -121.988
bonds (distance) P-C4' energy: -106.679
flat angles C4'-P-C4' energy: -133.268
flat angles P-C4'-P energy: -93.019
tors. eta vs tors. theta energy: -187.988
Dist. restrs. and SS energy: 5.786 (S_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: 423
Temperature: 1.300000
Total energy: -2144.260596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.260596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.786054 (E_RNA)
where:
Base-Base interactions energy: -1549.889
where: short stacking energy: -615.271
Base-Backbone interact. energy: -1.230
local terms energy: -609.667121
where:
bonds (distance) C4'-P energy: -93.009
bonds (distance) P-C4' energy: -120.555
flat angles C4'-P-C4' energy: -118.182
flat angles P-C4'-P energy: -84.757
tors. eta vs tors. theta energy: -193.164
Dist. restrs. and SS energy: 16.525 (S_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: 423
Temperature: 1.350000
Total energy: -2126.599473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.599473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.771088 (E_RNA)
where:
Base-Base interactions energy: -1534.705
where: short stacking energy: -594.628
Base-Backbone interact. energy: -0.123
local terms energy: -596.943473
where:
bonds (distance) C4'-P energy: -69.559
bonds (distance) P-C4' energy: -120.423
flat angles C4'-P-C4' energy: -134.708
flat angles P-C4'-P energy: -92.318
tors. eta vs tors. theta energy: -179.935
Dist. restrs. and SS energy: 5.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2819.010180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.010180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.343279 (E_RNA)
where:
Base-Base interactions energy: -1987.550
where: short stacking energy: -803.367
Base-Backbone interact. energy: -3.140
local terms energy: -835.653464
where:
bonds (distance) C4'-P energy: -135.588
bonds (distance) P-C4' energy: -153.916
flat angles C4'-P-C4' energy: -174.248
flat angles P-C4'-P energy: -121.028
tors. eta vs tors. theta energy: -250.874
Dist. restrs. and SS energy: 7.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2698.530396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.530396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.034725 (E_RNA)
where:
Base-Base interactions energy: -1899.414
where: short stacking energy: -779.813
Base-Backbone interact. energy: -0.480
local terms energy: -807.140999
where:
bonds (distance) C4'-P energy: -126.604
bonds (distance) P-C4' energy: -148.336
flat angles C4'-P-C4' energy: -172.694
flat angles P-C4'-P energy: -116.346
tors. eta vs tors. theta energy: -243.161
Dist. restrs. and SS energy: 8.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2671.312471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.312471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.056494 (E_RNA)
where:
Base-Base interactions energy: -1918.055
where: short stacking energy: -789.692
Base-Backbone interact. energy: -0.959
local terms energy: -763.042453
where:
bonds (distance) C4'-P energy: -127.649
bonds (distance) P-C4' energy: -133.153
flat angles C4'-P-C4' energy: -158.651
flat angles P-C4'-P energy: -105.998
tors. eta vs tors. theta energy: -237.591
Dist. restrs. and SS energy: 10.744 (S_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: 424
Temperature: 1.050000
Total energy: -2580.934347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.934347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.131494 (E_RNA)
where:
Base-Base interactions energy: -1816.514
where: short stacking energy: -736.355
Base-Backbone interact. energy: 2.632
local terms energy: -771.250266
where:
bonds (distance) C4'-P energy: -131.230
bonds (distance) P-C4' energy: -143.716
flat angles C4'-P-C4' energy: -163.903
flat angles P-C4'-P energy: -103.916
tors. eta vs tors. theta energy: -228.486
Dist. restrs. and SS energy: 4.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2495.692130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.692130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.317345 (E_RNA)
where:
Base-Base interactions energy: -1773.535
where: short stacking energy: -714.805
Base-Backbone interact. energy: -2.376
local terms energy: -724.406773
where:
bonds (distance) C4'-P energy: -117.668
bonds (distance) P-C4' energy: -132.116
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -106.055
tors. eta vs tors. theta energy: -224.939
Dist. restrs. and SS energy: 4.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2364.060017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.060017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.883806 (E_RNA)
where:
Base-Base interactions energy: -1694.576
where: short stacking energy: -687.264
Base-Backbone interact. energy: -1.064
local terms energy: -674.243876
where:
bonds (distance) C4'-P energy: -125.387
bonds (distance) P-C4' energy: -105.881
flat angles C4'-P-C4' energy: -153.646
flat angles P-C4'-P energy: -83.492
tors. eta vs tors. theta energy: -205.837
Dist. restrs. and SS energy: 5.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2317.207593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.207593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.594102 (E_RNA)
where:
Base-Base interactions energy: -1659.598
where: short stacking energy: -651.256
Base-Backbone interact. energy: 0.374
local terms energy: -663.370051
where:
bonds (distance) C4'-P energy: -98.626
bonds (distance) P-C4' energy: -132.428
flat angles C4'-P-C4' energy: -138.275
flat angles P-C4'-P energy: -89.956
tors. eta vs tors. theta energy: -204.084
Dist. restrs. and SS energy: 5.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2185.273120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.273120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.519639 (E_RNA)
where:
Base-Base interactions energy: -1531.628
where: short stacking energy: -639.908
Base-Backbone interact. energy: -2.050
local terms energy: -661.841292
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -122.868
flat angles C4'-P-C4' energy: -149.596
flat angles P-C4'-P energy: -95.556
tors. eta vs tors. theta energy: -185.871
Dist. restrs. and SS energy: 10.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -2163.689576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.689576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.737529 (E_RNA)
where:
Base-Base interactions energy: -1527.362
where: short stacking energy: -590.429
Base-Backbone interact. energy: -3.482
local terms energy: -640.894009
where:
bonds (distance) C4'-P energy: -111.919
bonds (distance) P-C4' energy: -114.228
flat angles C4'-P-C4' energy: -144.322
flat angles P-C4'-P energy: -93.111
tors. eta vs tors. theta energy: -177.315
Dist. restrs. and SS energy: 8.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -2147.508776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.508776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.302815 (E_RNA)
where:
Base-Base interactions energy: -1534.771
where: short stacking energy: -627.134
Base-Backbone interact. energy: -1.552
local terms energy: -620.980006
where:
bonds (distance) C4'-P energy: -88.725
bonds (distance) P-C4' energy: -125.314
flat angles C4'-P-C4' energy: -140.055
flat angles P-C4'-P energy: -80.257
tors. eta vs tors. theta energy: -186.630
Dist. restrs. and SS energy: 9.794 (S_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: 425
Temperature: 0.900000
Total energy: -2797.643074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.643074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.421090 (E_RNA)
where:
Base-Base interactions energy: -1986.553
where: short stacking energy: -815.096
Base-Backbone interact. energy: -2.280
local terms energy: -815.587881
where:
bonds (distance) C4'-P energy: -148.659
bonds (distance) P-C4' energy: -144.387
flat angles C4'-P-C4' energy: -167.103
flat angles P-C4'-P energy: -109.986
tors. eta vs tors. theta energy: -245.453
Dist. restrs. and SS energy: 6.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2721.810228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.810228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.528197 (E_RNA)
where:
Base-Base interactions energy: -1927.467
where: short stacking energy: -789.189
Base-Backbone interact. energy: -4.886
local terms energy: -799.175502
where:
bonds (distance) C4'-P energy: -131.291
bonds (distance) P-C4' energy: -137.646
flat angles C4'-P-C4' energy: -165.926
flat angles P-C4'-P energy: -108.124
tors. eta vs tors. theta energy: -256.187
Dist. restrs. and SS energy: 9.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2661.458589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.458589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.853874 (E_RNA)
where:
Base-Base interactions energy: -1899.962
where: short stacking energy: -777.207
Base-Backbone interact. energy: 3.765
local terms energy: -774.657261
where:
bonds (distance) C4'-P energy: -145.992
bonds (distance) P-C4' energy: -124.635
flat angles C4'-P-C4' energy: -149.632
flat angles P-C4'-P energy: -110.821
tors. eta vs tors. theta energy: -243.578
Dist. restrs. and SS energy: 9.395 (S_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: 425
Temperature: 1.050000
Total energy: -2568.759283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.759283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.693748 (E_RNA)
where:
Base-Base interactions energy: -1792.730
where: short stacking energy: -751.366
Base-Backbone interact. energy: -0.584
local terms energy: -780.380172
where:
bonds (distance) C4'-P energy: -129.941
bonds (distance) P-C4' energy: -144.798
flat angles C4'-P-C4' energy: -155.699
flat angles P-C4'-P energy: -121.917
tors. eta vs tors. theta energy: -228.024
Dist. restrs. and SS energy: 4.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2522.422739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.422739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.382942 (E_RNA)
where:
Base-Base interactions energy: -1825.887
where: short stacking energy: -738.412
Base-Backbone interact. energy: 1.067
local terms energy: -708.562678
where:
bonds (distance) C4'-P energy: -121.163
bonds (distance) P-C4' energy: -127.725
flat angles C4'-P-C4' energy: -138.318
flat angles P-C4'-P energy: -98.510
tors. eta vs tors. theta energy: -222.847
Dist. restrs. and SS energy: 10.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2388.796737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.796737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.958387 (E_RNA)
where:
Base-Base interactions energy: -1686.680
where: short stacking energy: -664.873
Base-Backbone interact. energy: 4.701
local terms energy: -714.979413
where:
bonds (distance) C4'-P energy: -128.333
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -144.653
flat angles P-C4'-P energy: -104.239
tors. eta vs tors. theta energy: -215.295
Dist. restrs. and SS energy: 8.162 (S_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: -2343.236898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.236898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.275456 (E_RNA)
where:
Base-Base interactions energy: -1648.888
where: short stacking energy: -681.653
Base-Backbone interact. energy: -1.515
local terms energy: -699.871867
where:
bonds (distance) C4'-P energy: -105.976
bonds (distance) P-C4' energy: -126.798
flat angles C4'-P-C4' energy: -148.062
flat angles P-C4'-P energy: -101.198
tors. eta vs tors. theta energy: -217.837
Dist. restrs. and SS energy: 7.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2188.651877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.651877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.122151 (E_RNA)
where:
Base-Base interactions energy: -1556.950
where: short stacking energy: -618.598
Base-Backbone interact. energy: -1.592
local terms energy: -636.581031
where:
bonds (distance) C4'-P energy: -106.628
bonds (distance) P-C4' energy: -112.145
flat angles C4'-P-C4' energy: -140.251
flat angles P-C4'-P energy: -84.545
tors. eta vs tors. theta energy: -193.012
Dist. restrs. and SS energy: 6.470 (S_DIST_RNA)
chem. 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: -2143.580859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.580859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.796291 (E_RNA)
where:
Base-Base interactions energy: -1526.895
where: short stacking energy: -614.797
Base-Backbone interact. energy: -2.740
local terms energy: -621.161972
where:
bonds (distance) C4'-P energy: -101.080
bonds (distance) P-C4' energy: -125.941
flat angles C4'-P-C4' energy: -127.624
flat angles P-C4'-P energy: -73.212
tors. eta vs tors. theta energy: -193.304
Dist. restrs. and SS energy: 7.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -2156.083145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.083145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.575309 (E_RNA)
where:
Base-Base interactions energy: -1549.021
where: short stacking energy: -615.189
Base-Backbone interact. energy: -1.866
local terms energy: -611.688429
where:
bonds (distance) C4'-P energy: -120.929
bonds (distance) P-C4' energy: -85.365
flat angles C4'-P-C4' energy: -136.756
flat angles P-C4'-P energy: -84.915
tors. eta vs tors. theta energy: -183.724
Dist. restrs. and SS energy: 6.492 (S_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: 426
Temperature: 0.900000
Total energy: -2800.065033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.065033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.463179 (E_RNA)
where:
Base-Base interactions energy: -1987.970
where: short stacking energy: -801.927
Base-Backbone interact. energy: 1.073
local terms energy: -819.565647
where:
bonds (distance) C4'-P energy: -137.011
bonds (distance) P-C4' energy: -141.894
flat angles C4'-P-C4' energy: -170.750
flat angles P-C4'-P energy: -121.751
tors. eta vs tors. theta energy: -248.159
Dist. restrs. and SS energy: 6.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2720.913683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.913683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.603548 (E_RNA)
where:
Base-Base interactions energy: -1918.945
where: short stacking energy: -784.444
Base-Backbone interact. energy: -1.825
local terms energy: -811.832653
where:
bonds (distance) C4'-P energy: -126.890
bonds (distance) P-C4' energy: -146.864
flat angles C4'-P-C4' energy: -170.456
flat angles P-C4'-P energy: -123.323
tors. eta vs tors. theta energy: -244.299
Dist. restrs. and SS energy: 11.690 (S_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: 426
Temperature: 1.000000
Total energy: -2675.565979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.565979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.062292 (E_RNA)
where:
Base-Base interactions energy: -1912.802
where: short stacking energy: -780.702
Base-Backbone interact. energy: -4.210
local terms energy: -766.050755
where:
bonds (distance) C4'-P energy: -139.375
bonds (distance) P-C4' energy: -117.742
flat angles C4'-P-C4' energy: -155.550
flat angles P-C4'-P energy: -105.496
tors. eta vs tors. theta energy: -247.886
Dist. restrs. and SS energy: 7.496 (S_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: 426
Temperature: 1.050000
Total energy: -2599.190384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.190384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.227683 (E_RNA)
where:
Base-Base interactions energy: -1822.929
where: short stacking energy: -749.908
Base-Backbone interact. energy: -1.955
local terms energy: -779.344140
where:
bonds (distance) C4'-P energy: -122.396
bonds (distance) P-C4' energy: -141.222
flat angles C4'-P-C4' energy: -165.606
flat angles P-C4'-P energy: -108.025
tors. eta vs tors. theta energy: -242.095
Dist. restrs. and SS energy: 5.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2509.958620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.958620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.263942 (E_RNA)
where:
Base-Base interactions energy: -1810.085
where: short stacking energy: -728.885
Base-Backbone interact. energy: 0.255
local terms energy: -712.434083
where:
bonds (distance) C4'-P energy: -130.096
bonds (distance) P-C4' energy: -105.226
flat angles C4'-P-C4' energy: -151.616
flat angles P-C4'-P energy: -102.827
tors. eta vs tors. theta energy: -222.669
Dist. restrs. and SS energy: 12.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2367.913931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.913931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.060089 (E_RNA)
where:
Base-Base interactions energy: -1668.707
where: short stacking energy: -674.017
Base-Backbone interact. energy: -2.045
local terms energy: -704.308707
where:
bonds (distance) C4'-P energy: -110.567
bonds (distance) P-C4' energy: -134.893
flat angles C4'-P-C4' energy: -137.133
flat angles P-C4'-P energy: -105.358
tors. eta vs tors. theta energy: -216.358
Dist. restrs. and SS energy: 7.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2346.573802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.573802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.364379 (E_RNA)
where:
Base-Base interactions energy: -1661.061
where: short stacking energy: -673.459
Base-Backbone interact. energy: -3.065
local terms energy: -690.238647
where:
bonds (distance) C4'-P energy: -112.140
bonds (distance) P-C4' energy: -117.213
flat angles C4'-P-C4' energy: -155.225
flat angles P-C4'-P energy: -96.305
tors. eta vs tors. theta energy: -209.355
Dist. restrs. and SS energy: 7.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2172.090788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.090788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.875293 (E_RNA)
where:
Base-Base interactions energy: -1565.622
where: short stacking energy: -604.107
Base-Backbone interact. energy: 4.099
local terms energy: -620.351707
where:
bonds (distance) C4'-P energy: -106.339
bonds (distance) P-C4' energy: -113.787
flat angles C4'-P-C4' energy: -130.141
flat angles P-C4'-P energy: -95.808
tors. eta vs tors. theta energy: -174.277
Dist. restrs. and SS energy: 9.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -2131.919431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.919431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.205376 (E_RNA)
where:
Base-Base interactions energy: -1523.538
where: short stacking energy: -631.279
Base-Backbone interact. energy: -0.469
local terms energy: -624.197844
where:
bonds (distance) C4'-P energy: -86.421
bonds (distance) P-C4' energy: -122.224
flat angles C4'-P-C4' energy: -139.013
flat angles P-C4'-P energy: -83.286
tors. eta vs tors. theta energy: -193.253
Dist. restrs. and SS energy: 16.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -2074.313125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.313125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.840052 (E_RNA)
where:
Base-Base interactions energy: -1473.135
where: short stacking energy: -585.669
Base-Backbone interact. energy: 2.081
local terms energy: -610.786395
where:
bonds (distance) C4'-P energy: -106.061
bonds (distance) P-C4' energy: -109.779
flat angles C4'-P-C4' energy: -124.248
flat angles P-C4'-P energy: -89.036
tors. eta vs tors. theta energy: -181.663
Dist. restrs. and SS energy: 7.527 (S_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: 427
Temperature: 0.900000
Total energy: -2790.654578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.654578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.324012 (E_RNA)
where:
Base-Base interactions energy: -1985.516
where: short stacking energy: -803.097
Base-Backbone interact. energy: -1.303
local terms energy: -809.504664
where:
bonds (distance) C4'-P energy: -149.073
bonds (distance) P-C4' energy: -129.022
flat angles C4'-P-C4' energy: -164.720
flat angles P-C4'-P energy: -116.353
tors. eta vs tors. theta energy: -250.337
Dist. restrs. and SS energy: 5.669 (S_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: -2694.721329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.721329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.896494 (E_RNA)
where:
Base-Base interactions energy: -1913.711
where: short stacking energy: -780.782
Base-Backbone interact. energy: 2.440
local terms energy: -792.625392
where:
bonds (distance) C4'-P energy: -136.822
bonds (distance) P-C4' energy: -141.724
flat angles C4'-P-C4' energy: -168.652
flat angles P-C4'-P energy: -103.432
tors. eta vs tors. theta energy: -241.996
Dist. restrs. and SS energy: 9.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2657.068846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.068846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.693659 (E_RNA)
where:
Base-Base interactions energy: -1886.916
where: short stacking energy: -756.276
Base-Backbone interact. energy: -3.487
local terms energy: -778.290882
where:
bonds (distance) C4'-P energy: -135.806
bonds (distance) P-C4' energy: -127.547
flat angles C4'-P-C4' energy: -164.102
flat angles P-C4'-P energy: -111.009
tors. eta vs tors. theta energy: -239.827
Dist. restrs. and SS energy: 11.625 (S_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: 427
Temperature: 1.050000
Total energy: -2580.001579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.001579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.520981 (E_RNA)
where:
Base-Base interactions energy: -1825.715
where: short stacking energy: -740.608
Base-Backbone interact. energy: -2.142
local terms energy: -757.663601
where:
bonds (distance) C4'-P energy: -132.811
bonds (distance) P-C4' energy: -136.787
flat angles C4'-P-C4' energy: -149.441
flat angles P-C4'-P energy: -102.750
tors. eta vs tors. theta energy: -235.874
Dist. restrs. and SS energy: 5.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2495.836011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.836011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.640368 (E_RNA)
where:
Base-Base interactions energy: -1773.124
where: short stacking energy: -731.660
Base-Backbone interact. energy: -0.840
local terms energy: -728.676503
where:
bonds (distance) C4'-P energy: -111.292
bonds (distance) P-C4' energy: -137.359
flat angles C4'-P-C4' energy: -152.909
flat angles P-C4'-P energy: -104.099
tors. eta vs tors. theta energy: -223.017
Dist. restrs. and SS energy: 6.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2371.847746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.847746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.886184 (E_RNA)
where:
Base-Base interactions energy: -1686.089
where: short stacking energy: -655.151
Base-Backbone interact. energy: 0.067
local terms energy: -689.864433
where:
bonds (distance) C4'-P energy: -119.205
bonds (distance) P-C4' energy: -116.980
flat angles C4'-P-C4' energy: -145.289
flat angles P-C4'-P energy: -105.861
tors. eta vs tors. theta energy: -202.530
Dist. restrs. and SS energy: 4.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2236.904146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.904146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.952175 (E_RNA)
where:
Base-Base interactions energy: -1575.733
where: short stacking energy: -647.229
Base-Backbone interact. energy: -3.265
local terms energy: -668.953914
where:
bonds (distance) C4'-P energy: -122.811
bonds (distance) P-C4' energy: -125.131
flat angles C4'-P-C4' energy: -137.883
flat angles P-C4'-P energy: -91.011
tors. eta vs tors. theta energy: -192.117
Dist. restrs. and SS energy: 11.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2196.589477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.589477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.708968 (E_RNA)
where:
Base-Base interactions energy: -1579.089
where: short stacking energy: -604.131
Base-Backbone interact. energy: -0.082
local terms energy: -624.538620
where:
bonds (distance) C4'-P energy: -118.092
bonds (distance) P-C4' energy: -104.269
flat angles C4'-P-C4' energy: -140.701
flat angles P-C4'-P energy: -77.992
tors. eta vs tors. theta energy: -183.484
Dist. restrs. and SS energy: 7.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -2081.209245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.209245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.196060 (E_RNA)
where:
Base-Base interactions energy: -1517.212
where: short stacking energy: -585.681
Base-Backbone interact. energy: -1.857
local terms energy: -587.126916
where:
bonds (distance) C4'-P energy: -98.854
bonds (distance) P-C4' energy: -101.793
flat angles C4'-P-C4' energy: -130.640
flat angles P-C4'-P energy: -75.152
tors. eta vs tors. theta energy: -180.689
Dist. restrs. and SS energy: 24.987 (S_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: 427
Temperature: 1.350000
Total energy: -2088.855778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.855778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.987433 (E_RNA)
where:
Base-Base interactions energy: -1529.494
where: short stacking energy: -593.185
Base-Backbone interact. energy: 1.551
local terms energy: -571.044615
where:
bonds (distance) C4'-P energy: -92.434
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -127.833
flat angles P-C4'-P energy: -85.370
tors. eta vs tors. theta energy: -167.174
Dist. restrs. and SS energy: 10.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2780.215819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.215819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.375098 (E_RNA)
where:
Base-Base interactions energy: -1958.797
where: short stacking energy: -805.736
Base-Backbone interact. energy: -0.985
local terms energy: -827.592438
where:
bonds (distance) C4'-P energy: -151.123
bonds (distance) P-C4' energy: -142.814
flat angles C4'-P-C4' energy: -164.041
flat angles P-C4'-P energy: -120.822
tors. eta vs tors. theta energy: -248.793
Dist. restrs. and SS energy: 7.159 (S_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: -2712.502586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.502586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.948625 (E_RNA)
where:
Base-Base interactions energy: -1902.835
where: short stacking energy: -816.826
Base-Backbone interact. energy: 0.085
local terms energy: -816.198712
where:
bonds (distance) C4'-P energy: -140.382
bonds (distance) P-C4' energy: -156.608
flat angles C4'-P-C4' energy: -152.129
flat angles P-C4'-P energy: -119.723
tors. eta vs tors. theta energy: -247.357
Dist. restrs. and SS energy: 6.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2682.029655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.029655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.319939 (E_RNA)
where:
Base-Base interactions energy: -1900.909
where: short stacking energy: -774.170
Base-Backbone interact. energy: -1.610
local terms energy: -789.800745
where:
bonds (distance) C4'-P energy: -123.254
bonds (distance) P-C4' energy: -148.147
flat angles C4'-P-C4' energy: -163.858
flat angles P-C4'-P energy: -112.536
tors. eta vs tors. theta energy: -242.006
Dist. restrs. and SS energy: 10.290 (S_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: 428
Temperature: 1.050000
Total energy: -2567.379382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.379382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.111744 (E_RNA)
where:
Base-Base interactions energy: -1824.344
where: short stacking energy: -740.552
Base-Backbone interact. energy: -2.867
local terms energy: -744.901293
where:
bonds (distance) C4'-P energy: -129.120
bonds (distance) P-C4' energy: -136.723
flat angles C4'-P-C4' energy: -150.838
flat angles P-C4'-P energy: -99.803
tors. eta vs tors. theta energy: -228.418
Dist. restrs. and SS energy: 4.732 (S_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: 428
Temperature: 1.100000
Total energy: -2491.319925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.319925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.734633 (E_RNA)
where:
Base-Base interactions energy: -1755.642
where: short stacking energy: -699.298
Base-Backbone interact. energy: -2.456
local terms energy: -741.636648
where:
bonds (distance) C4'-P energy: -132.199
bonds (distance) P-C4' energy: -134.651
flat angles C4'-P-C4' energy: -153.225
flat angles P-C4'-P energy: -98.997
tors. eta vs tors. theta energy: -222.564
Dist. restrs. and SS energy: 8.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2379.299326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.299326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.023448 (E_RNA)
where:
Base-Base interactions energy: -1682.190
where: short stacking energy: -684.295
Base-Backbone interact. energy: -3.142
local terms energy: -697.691687
where:
bonds (distance) C4'-P energy: -125.434
bonds (distance) P-C4' energy: -134.652
flat angles C4'-P-C4' energy: -132.711
flat angles P-C4'-P energy: -104.937
tors. eta vs tors. theta energy: -199.957
Dist. restrs. and SS energy: 3.724 (S_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: 428
Temperature: 1.200000
Total energy: -2235.907788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.907788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.855808 (E_RNA)
where:
Base-Base interactions energy: -1595.162
where: short stacking energy: -638.623
Base-Backbone interact. energy: -1.653
local terms energy: -648.040023
where:
bonds (distance) C4'-P energy: -126.229
bonds (distance) P-C4' energy: -115.656
flat angles C4'-P-C4' energy: -130.199
flat angles P-C4'-P energy: -90.181
tors. eta vs tors. theta energy: -185.775
Dist. restrs. and SS energy: 8.948 (S_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: 428
Temperature: 1.250000
Total energy: -2267.922738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.922738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.706020 (E_RNA)
where:
Base-Base interactions energy: -1643.263
where: short stacking energy: -660.995
Base-Backbone interact. energy: -1.736
local terms energy: -628.707562
where:
bonds (distance) C4'-P energy: -86.603
bonds (distance) P-C4' energy: -96.463
flat angles C4'-P-C4' energy: -131.722
flat angles P-C4'-P energy: -107.807
tors. eta vs tors. theta energy: -206.114
Dist. restrs. and SS energy: 5.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -2131.295194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.295194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.909176 (E_RNA)
where:
Base-Base interactions energy: -1547.862
where: short stacking energy: -619.295
Base-Backbone interact. energy: -3.127
local terms energy: -597.920395
where:
bonds (distance) C4'-P energy: -104.068
bonds (distance) P-C4' energy: -100.837
flat angles C4'-P-C4' energy: -115.987
flat angles P-C4'-P energy: -89.591
tors. eta vs tors. theta energy: -187.438
Dist. restrs. and SS energy: 17.614 (S_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: 428
Temperature: 1.350000
Total energy: -2095.554021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.554021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.492850 (E_RNA)
where:
Base-Base interactions energy: -1521.254
where: short stacking energy: -612.162
Base-Backbone interact. energy: 0.346
local terms energy: -590.584914
where:
bonds (distance) C4'-P energy: -100.936
bonds (distance) P-C4' energy: -105.976
flat angles C4'-P-C4' energy: -137.240
flat angles P-C4'-P energy: -62.553
tors. eta vs tors. theta energy: -183.881
Dist. restrs. and SS energy: 15.939 (S_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: 429
Temperature: 0.900000
Total energy: -2820.973835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.973835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.254448 (E_RNA)
where:
Base-Base interactions energy: -1994.686
where: short stacking energy: -817.903
Base-Backbone interact. energy: -1.619
local terms energy: -831.949181
where:
bonds (distance) C4'-P energy: -138.020
bonds (distance) P-C4' energy: -144.175
flat angles C4'-P-C4' energy: -167.841
flat angles P-C4'-P energy: -126.691
tors. eta vs tors. theta energy: -255.223
Dist. restrs. and SS energy: 7.281 (S_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: -2707.313321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.313321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.664166 (E_RNA)
where:
Base-Base interactions energy: -1912.428
where: short stacking energy: -789.898
Base-Backbone interact. energy: 1.989
local terms energy: -806.224911
where:
bonds (distance) C4'-P energy: -136.588
bonds (distance) P-C4' energy: -132.330
flat angles C4'-P-C4' energy: -175.873
flat angles P-C4'-P energy: -123.110
tors. eta vs tors. theta energy: -238.324
Dist. restrs. and SS energy: 9.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2681.662074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.662074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.913753 (E_RNA)
where:
Base-Base interactions energy: -1906.649
where: short stacking energy: -764.199
Base-Backbone interact. energy: -3.086
local terms energy: -783.178897
where:
bonds (distance) C4'-P energy: -124.601
bonds (distance) P-C4' energy: -141.059
flat angles C4'-P-C4' energy: -163.695
flat angles P-C4'-P energy: -112.381
tors. eta vs tors. theta energy: -241.443
Dist. restrs. and SS energy: 11.252 (S_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: 429
Temperature: 1.050000
Total energy: -2605.490662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.490662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.214281 (E_RNA)
where:
Base-Base interactions energy: -1868.872
where: short stacking energy: -771.989
Base-Backbone interact. energy: -1.235
local terms energy: -739.107624
where:
bonds (distance) C4'-P energy: -126.459
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -149.149
flat angles P-C4'-P energy: -94.511
tors. eta vs tors. theta energy: -232.532
Dist. restrs. and SS energy: 3.724 (S_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: 429
Temperature: 1.100000
Total energy: -2498.966888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.966888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.101199 (E_RNA)
where:
Base-Base interactions energy: -1775.289
where: short stacking energy: -715.373
Base-Backbone interact. energy: -0.649
local terms energy: -730.163819
where:
bonds (distance) C4'-P energy: -115.265
bonds (distance) P-C4' energy: -135.317
flat angles C4'-P-C4' energy: -152.278
flat angles P-C4'-P energy: -99.871
tors. eta vs tors. theta energy: -227.432
Dist. restrs. and SS energy: 7.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2377.977765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.977765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.921875 (E_RNA)
where:
Base-Base interactions energy: -1679.196
where: short stacking energy: -682.547
Base-Backbone interact. energy: 2.973
local terms energy: -706.698187
where:
bonds (distance) C4'-P energy: -115.247
bonds (distance) P-C4' energy: -118.177
flat angles C4'-P-C4' energy: -148.439
flat angles P-C4'-P energy: -108.289
tors. eta vs tors. theta energy: -216.546
Dist. restrs. and SS energy: 4.944 (S_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: 429
Temperature: 1.200000
Total energy: -2268.244142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.244142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.669785 (E_RNA)
where:
Base-Base interactions energy: -1599.585
where: short stacking energy: -632.960
Base-Backbone interact. energy: 1.265
local terms energy: -682.349742
where:
bonds (distance) C4'-P energy: -105.110
bonds (distance) P-C4' energy: -132.322
flat angles C4'-P-C4' energy: -135.673
flat angles P-C4'-P energy: -99.153
tors. eta vs tors. theta energy: -210.092
Dist. restrs. and SS energy: 12.426 (S_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: 429
Temperature: 1.250000
Total energy: -2283.112457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.112457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.127207 (E_RNA)
where:
Base-Base interactions energy: -1626.932
where: short stacking energy: -658.234
Base-Backbone interact. energy: 1.568
local terms energy: -663.763173
where:
bonds (distance) C4'-P energy: -128.630
bonds (distance) P-C4' energy: -100.319
flat angles C4'-P-C4' energy: -149.094
flat angles P-C4'-P energy: -77.175
tors. eta vs tors. theta energy: -208.545
Dist. restrs. and SS energy: 6.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -2160.773204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.773204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.971079 (E_RNA)
where:
Base-Base interactions energy: -1551.350
where: short stacking energy: -604.299
Base-Backbone interact. energy: -0.009
local terms energy: -616.611781
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -111.794
flat angles C4'-P-C4' energy: -133.050
flat angles P-C4'-P energy: -87.263
tors. eta vs tors. theta energy: -185.288
Dist. restrs. and SS energy: 7.198 (S_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: 429
Temperature: 1.350000
Total energy: -2143.871358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.871358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.169521 (E_RNA)
where:
Base-Base interactions energy: -1529.508
where: short stacking energy: -613.535
Base-Backbone interact. energy: -2.316
local terms energy: -625.345506
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -98.988
flat angles C4'-P-C4' energy: -154.418
flat angles P-C4'-P energy: -85.600
tors. eta vs tors. theta energy: -198.118
Dist. restrs. and SS energy: 13.298 (S_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: 430
Temperature: 0.900000
Total energy: -2786.341114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.341114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.033788 (E_RNA)
where:
Base-Base interactions energy: -1977.416
where: short stacking energy: -802.247
Base-Backbone interact. energy: -1.848
local terms energy: -815.768997
where:
bonds (distance) C4'-P energy: -129.051
bonds (distance) P-C4' energy: -148.994
flat angles C4'-P-C4' energy: -159.925
flat angles P-C4'-P energy: -124.510
tors. eta vs tors. theta energy: -253.289
Dist. restrs. and SS energy: 8.693 (S_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: -2714.578132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.578132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.663037 (E_RNA)
where:
Base-Base interactions energy: -1938.415
where: short stacking energy: -778.765
Base-Backbone interact. energy: -0.815
local terms energy: -783.432710
where:
bonds (distance) C4'-P energy: -136.133
bonds (distance) P-C4' energy: -124.685
flat angles C4'-P-C4' energy: -158.408
flat angles P-C4'-P energy: -115.093
tors. eta vs tors. theta energy: -249.115
Dist. restrs. and SS energy: 8.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2691.863222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.863222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.525863 (E_RNA)
where:
Base-Base interactions energy: -1902.451
where: short stacking energy: -758.016
Base-Backbone interact. energy: -2.433
local terms energy: -796.641980
where:
bonds (distance) C4'-P energy: -142.132
bonds (distance) P-C4' energy: -148.604
flat angles C4'-P-C4' energy: -157.748
flat angles P-C4'-P energy: -112.147
tors. eta vs tors. theta energy: -236.011
Dist. restrs. and SS energy: 9.663 (S_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: 430
Temperature: 1.050000
Total energy: -2558.002184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.002184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.981905 (E_RNA)
where:
Base-Base interactions energy: -1827.556
where: short stacking energy: -745.939
Base-Backbone interact. energy: -1.116
local terms energy: -733.309247
where:
bonds (distance) C4'-P energy: -112.211
bonds (distance) P-C4' energy: -138.593
flat angles C4'-P-C4' energy: -141.756
flat angles P-C4'-P energy: -110.753
tors. eta vs tors. theta energy: -229.996
Dist. restrs. and SS energy: 3.980 (S_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: 430
Temperature: 1.100000
Total energy: -2519.420465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.420465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.943864 (E_RNA)
where:
Base-Base interactions energy: -1809.977
where: short stacking energy: -729.450
Base-Backbone interact. energy: 2.328
local terms energy: -719.295667
where:
bonds (distance) C4'-P energy: -126.484
bonds (distance) P-C4' energy: -112.330
flat angles C4'-P-C4' energy: -158.037
flat angles P-C4'-P energy: -101.087
tors. eta vs tors. theta energy: -221.358
Dist. restrs. and SS energy: 7.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2427.132951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.132951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.073239 (E_RNA)
where:
Base-Base interactions energy: -1694.601
where: short stacking energy: -677.295
Base-Backbone interact. energy: 1.578
local terms energy: -738.050902
where:
bonds (distance) C4'-P energy: -122.122
bonds (distance) P-C4' energy: -146.896
flat angles C4'-P-C4' energy: -150.050
flat angles P-C4'-P energy: -101.568
tors. eta vs tors. theta energy: -217.415
Dist. restrs. and SS energy: 3.940 (S_DIST_RNA)
chem. 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: -2344.602147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.602147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.412003 (E_RNA)
where:
Base-Base interactions energy: -1647.518
where: short stacking energy: -648.358
Base-Backbone interact. energy: -0.186
local terms energy: -704.708501
where:
bonds (distance) C4'-P energy: -134.752
bonds (distance) P-C4' energy: -109.272
flat angles C4'-P-C4' energy: -143.843
flat angles P-C4'-P energy: -99.823
tors. eta vs tors. theta energy: -217.020
Dist. restrs. and SS energy: 7.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2262.701921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.701921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.980100 (E_RNA)
where:
Base-Base interactions energy: -1625.569
where: short stacking energy: -675.360
Base-Backbone interact. energy: -2.057
local terms energy: -642.354268
where:
bonds (distance) C4'-P energy: -96.507
bonds (distance) P-C4' energy: -101.946
flat angles C4'-P-C4' energy: -137.836
flat angles P-C4'-P energy: -104.993
tors. eta vs tors. theta energy: -201.073
Dist. restrs. and SS energy: 7.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -2197.790811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.790811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.653382 (E_RNA)
where:
Base-Base interactions energy: -1593.176
where: short stacking energy: -636.188
Base-Backbone interact. energy: -1.109
local terms energy: -609.368168
where:
bonds (distance) C4'-P energy: -88.809
bonds (distance) P-C4' energy: -113.587
flat angles C4'-P-C4' energy: -132.416
flat angles P-C4'-P energy: -80.958
tors. eta vs tors. theta energy: -193.599
Dist. restrs. and SS energy: 5.863 (S_DIST_RNA)
chem. 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: -2047.627097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.627097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.394357 (E_RNA)
where:
Base-Base interactions energy: -1458.852
where: short stacking energy: -572.776
Base-Backbone interact. energy: 1.540
local terms energy: -602.083110
where:
bonds (distance) C4'-P energy: -97.052
bonds (distance) P-C4' energy: -120.410
flat angles C4'-P-C4' energy: -134.507
flat angles P-C4'-P energy: -80.256
tors. eta vs tors. theta energy: -169.858
Dist. restrs. and SS energy: 11.767 (S_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: 431
Temperature: 0.900000
Total energy: -2802.876048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.876048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.985255 (E_RNA)
where:
Base-Base interactions energy: -1988.191
where: short stacking energy: -811.637
Base-Backbone interact. energy: -3.364
local terms energy: -817.430324
where:
bonds (distance) C4'-P energy: -150.846
bonds (distance) P-C4' energy: -143.739
flat angles C4'-P-C4' energy: -157.724
flat angles P-C4'-P energy: -118.929
tors. eta vs tors. theta energy: -246.192
Dist. restrs. and SS energy: 6.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2717.539082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.539082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.826632 (E_RNA)
where:
Base-Base interactions energy: -1937.177
where: short stacking energy: -791.717
Base-Backbone interact. energy: -1.938
local terms energy: -783.711624
where:
bonds (distance) C4'-P energy: -137.512
bonds (distance) P-C4' energy: -135.238
flat angles C4'-P-C4' energy: -160.100
flat angles P-C4'-P energy: -106.598
tors. eta vs tors. theta energy: -244.265
Dist. restrs. and SS energy: 5.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2682.832578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.832578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.948932 (E_RNA)
where:
Base-Base interactions energy: -1908.762
where: short stacking energy: -760.116
Base-Backbone interact. energy: -1.847
local terms energy: -780.339398
where:
bonds (distance) C4'-P energy: -133.367
bonds (distance) P-C4' energy: -138.289
flat angles C4'-P-C4' energy: -158.460
flat angles P-C4'-P energy: -108.480
tors. eta vs tors. theta energy: -241.743
Dist. restrs. and SS energy: 8.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2544.143541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.143541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.783672 (E_RNA)
where:
Base-Base interactions energy: -1799.398
where: short stacking energy: -713.934
Base-Backbone interact. energy: -1.941
local terms energy: -749.444177
where:
bonds (distance) C4'-P energy: -123.876
bonds (distance) P-C4' energy: -134.437
flat angles C4'-P-C4' energy: -158.677
flat angles P-C4'-P energy: -100.511
tors. eta vs tors. theta energy: -231.943
Dist. restrs. and SS energy: 6.640 (S_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: 431
Temperature: 1.100000
Total energy: -2526.804404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.804404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.956610 (E_RNA)
where:
Base-Base interactions energy: -1801.512
where: short stacking energy: -751.735
Base-Backbone interact. energy: -4.238
local terms energy: -728.207535
where:
bonds (distance) C4'-P energy: -113.716
bonds (distance) P-C4' energy: -116.916
flat angles C4'-P-C4' energy: -157.795
flat angles P-C4'-P energy: -102.806
tors. eta vs tors. theta energy: -236.975
Dist. restrs. and SS energy: 7.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2427.658310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.658310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.327497 (E_RNA)
where:
Base-Base interactions energy: -1710.706
where: short stacking energy: -708.794
Base-Backbone interact. energy: 1.166
local terms energy: -721.787057
where:
bonds (distance) C4'-P energy: -125.721
bonds (distance) P-C4' energy: -125.284
flat angles C4'-P-C4' energy: -155.050
flat angles P-C4'-P energy: -98.230
tors. eta vs tors. theta energy: -217.503
Dist. restrs. and SS energy: 3.669 (S_DIST_RNA)
chem. 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: -2334.644068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.644068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.853762 (E_RNA)
where:
Base-Base interactions energy: -1649.792
where: short stacking energy: -687.548
Base-Backbone interact. energy: -1.670
local terms energy: -691.392239
where:
bonds (distance) C4'-P energy: -107.365
bonds (distance) P-C4' energy: -128.815
flat angles C4'-P-C4' energy: -143.598
flat angles P-C4'-P energy: -95.477
tors. eta vs tors. theta energy: -216.137
Dist. restrs. and SS energy: 8.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2254.031434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.031434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.243765 (E_RNA)
where:
Base-Base interactions energy: -1606.259
where: short stacking energy: -656.839
Base-Backbone interact. energy: -1.036
local terms energy: -651.948652
where:
bonds (distance) C4'-P energy: -97.804
bonds (distance) P-C4' energy: -115.050
flat angles C4'-P-C4' energy: -154.117
flat angles P-C4'-P energy: -87.879
tors. eta vs tors. theta energy: -197.098
Dist. restrs. and SS energy: 5.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -2177.536242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.536242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.396181 (E_RNA)
where:
Base-Base interactions energy: -1584.984
where: short stacking energy: -619.521
Base-Backbone interact. energy: 3.352
local terms energy: -602.763820
where:
bonds (distance) C4'-P energy: -101.371
bonds (distance) P-C4' energy: -100.269
flat angles C4'-P-C4' energy: -120.036
flat angles P-C4'-P energy: -88.936
tors. eta vs tors. theta energy: -192.151
Dist. restrs. and SS energy: 6.860 (S_DIST_RNA)
chem. 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: -2047.251367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.251367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.516485 (E_RNA)
where:
Base-Base interactions energy: -1456.735
where: short stacking energy: -601.176
Base-Backbone interact. energy: 2.967
local terms energy: -612.748884
where:
bonds (distance) C4'-P energy: -97.853
bonds (distance) P-C4' energy: -118.342
flat angles C4'-P-C4' energy: -133.201
flat angles P-C4'-P energy: -86.737
tors. eta vs tors. theta energy: -176.616
Dist. restrs. and SS energy: 19.265 (S_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: 432
Temperature: 0.900000
Total energy: -2829.632642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.632642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.028829 (E_RNA)
where:
Base-Base interactions energy: -1997.874
where: short stacking energy: -825.713
Base-Backbone interact. energy: -0.238
local terms energy: -838.916745
where:
bonds (distance) C4'-P energy: -140.980
bonds (distance) P-C4' energy: -160.634
flat angles C4'-P-C4' energy: -172.069
flat angles P-C4'-P energy: -111.533
tors. eta vs tors. theta energy: -253.702
Dist. restrs. and SS energy: 7.396 (S_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: 432
Temperature: 0.950000
Total energy: -2724.161087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.161087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.814131 (E_RNA)
where:
Base-Base interactions energy: -1909.045
where: short stacking energy: -787.183
Base-Backbone interact. energy: -1.866
local terms energy: -818.902851
where:
bonds (distance) C4'-P energy: -150.982
bonds (distance) P-C4' energy: -140.338
flat angles C4'-P-C4' energy: -177.833
flat angles P-C4'-P energy: -104.990
tors. eta vs tors. theta energy: -244.759
Dist. restrs. and SS energy: 5.653 (S_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: 432
Temperature: 1.000000
Total energy: -2663.161089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.161089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.060235 (E_RNA)
where:
Base-Base interactions energy: -1910.029
where: short stacking energy: -769.739
Base-Backbone interact. energy: -3.107
local terms energy: -760.925041
where:
bonds (distance) C4'-P energy: -121.392
bonds (distance) P-C4' energy: -121.050
flat angles C4'-P-C4' energy: -157.935
flat angles P-C4'-P energy: -120.962
tors. eta vs tors. theta energy: -239.586
Dist. restrs. and SS energy: 10.899 (S_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: 432
Temperature: 1.050000
Total energy: -2539.000331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.000331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.996038 (E_RNA)
where:
Base-Base interactions energy: -1816.631
where: short stacking energy: -738.221
Base-Backbone interact. energy: -1.888
local terms energy: -727.477250
where:
bonds (distance) C4'-P energy: -124.146
bonds (distance) P-C4' energy: -144.036
flat angles C4'-P-C4' energy: -135.977
flat angles P-C4'-P energy: -106.520
tors. eta vs tors. theta energy: -216.799
Dist. restrs. and SS energy: 6.996 (S_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: 432
Temperature: 1.100000
Total energy: -2491.547685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.547685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.602978 (E_RNA)
where:
Base-Base interactions energy: -1775.147
where: short stacking energy: -719.571
Base-Backbone interact. energy: -2.730
local terms energy: -716.726431
where:
bonds (distance) C4'-P energy: -130.470
bonds (distance) P-C4' energy: -108.365
flat angles C4'-P-C4' energy: -149.164
flat angles P-C4'-P energy: -101.917
tors. eta vs tors. theta energy: -226.811
Dist. restrs. and SS energy: 3.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2456.922792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.922792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.661984 (E_RNA)
where:
Base-Base interactions energy: -1746.330
where: short stacking energy: -698.323
Base-Backbone interact. energy: -0.640
local terms energy: -714.692062
where:
bonds (distance) C4'-P energy: -125.242
bonds (distance) P-C4' energy: -125.783
flat angles C4'-P-C4' energy: -156.441
flat angles P-C4'-P energy: -93.918
tors. eta vs tors. theta energy: -213.309
Dist. restrs. and SS energy: 4.739 (S_DIST_RNA)
chem. 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: -2370.896043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.896043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.969062 (E_RNA)
where:
Base-Base interactions energy: -1713.773
where: short stacking energy: -672.548
Base-Backbone interact. energy: -4.981
local terms energy: -656.215210
where:
bonds (distance) C4'-P energy: -105.745
bonds (distance) P-C4' energy: -99.372
flat angles C4'-P-C4' energy: -150.005
flat angles P-C4'-P energy: -95.725
tors. eta vs tors. theta energy: -205.368
Dist. restrs. and SS energy: 4.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -2241.514346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.514346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.697612 (E_RNA)
where:
Base-Base interactions energy: -1578.086
where: short stacking energy: -636.749
Base-Backbone interact. energy: -1.056
local terms energy: -670.554883
where:
bonds (distance) C4'-P energy: -120.975
bonds (distance) P-C4' energy: -111.884
flat angles C4'-P-C4' energy: -141.754
flat angles P-C4'-P energy: -95.808
tors. eta vs tors. theta energy: -200.134
Dist. restrs. and SS energy: 8.183 (S_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: 432
Temperature: 1.300000
Total energy: -2175.040728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.040728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.619462 (E_RNA)
where:
Base-Base interactions energy: -1540.288
where: short stacking energy: -633.533
Base-Backbone interact. energy: -0.798
local terms energy: -646.533171
where:
bonds (distance) C4'-P energy: -101.266
bonds (distance) P-C4' energy: -103.645
flat angles C4'-P-C4' energy: -144.995
flat angles P-C4'-P energy: -104.130
tors. eta vs tors. theta energy: -192.498
Dist. restrs. and SS energy: 12.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -2019.419619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.419619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.027083 (E_RNA)
where:
Base-Base interactions energy: -1446.911
where: short stacking energy: -605.162
Base-Backbone interact. energy: -0.624
local terms energy: -585.491717
where:
bonds (distance) C4'-P energy: -98.798
bonds (distance) P-C4' energy: -106.980
flat angles C4'-P-C4' energy: -114.108
flat angles P-C4'-P energy: -78.965
tors. eta vs tors. theta energy: -186.640
Dist. restrs. and SS energy: 13.607 (S_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: 433
Temperature: 0.900000
Total energy: -2803.795002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.795002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.749733 (E_RNA)
where:
Base-Base interactions energy: -1979.982
where: short stacking energy: -819.344
Base-Backbone interact. energy: 0.386
local terms energy: -831.153763
where:
bonds (distance) C4'-P energy: -131.344
bonds (distance) P-C4' energy: -153.082
flat angles C4'-P-C4' energy: -167.462
flat angles P-C4'-P energy: -125.872
tors. eta vs tors. theta energy: -253.393
Dist. restrs. and SS energy: 6.955 (S_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: 433
Temperature: 0.950000
Total energy: -2735.911644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.911644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.482281 (E_RNA)
where:
Base-Base interactions energy: -1946.738
where: short stacking energy: -789.889
Base-Backbone interact. energy: -0.521
local terms energy: -798.223954
where:
bonds (distance) C4'-P energy: -148.723
bonds (distance) P-C4' energy: -144.541
flat angles C4'-P-C4' energy: -151.295
flat angles P-C4'-P energy: -106.480
tors. eta vs tors. theta energy: -247.185
Dist. restrs. and SS energy: 9.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2660.872228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.872228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.944215 (E_RNA)
where:
Base-Base interactions energy: -1898.848
where: short stacking energy: -753.500
Base-Backbone interact. energy: 0.256
local terms energy: -773.352200
where:
bonds (distance) C4'-P energy: -118.581
bonds (distance) P-C4' energy: -142.087
flat angles C4'-P-C4' energy: -161.561
flat angles P-C4'-P energy: -109.334
tors. eta vs tors. theta energy: -241.789
Dist. restrs. and SS energy: 11.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2594.835321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.835321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.314048 (E_RNA)
where:
Base-Base interactions energy: -1859.140
where: short stacking energy: -751.146
Base-Backbone interact. energy: 2.523
local terms energy: -750.696986
where:
bonds (distance) C4'-P energy: -132.508
bonds (distance) P-C4' energy: -131.306
flat angles C4'-P-C4' energy: -144.552
flat angles P-C4'-P energy: -111.084
tors. eta vs tors. theta energy: -231.247
Dist. restrs. and SS energy: 12.479 (S_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: 433
Temperature: 1.100000
Total energy: -2483.617550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.617550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.354208 (E_RNA)
where:
Base-Base interactions energy: -1745.173
where: short stacking energy: -709.848
Base-Backbone interact. energy: -0.063
local terms energy: -742.118174
where:
bonds (distance) C4'-P energy: -117.636
bonds (distance) P-C4' energy: -136.094
flat angles C4'-P-C4' energy: -153.153
flat angles P-C4'-P energy: -111.259
tors. eta vs tors. theta energy: -223.976
Dist. restrs. and SS energy: 3.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2449.229923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.229923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.537251 (E_RNA)
where:
Base-Base interactions energy: -1758.732
where: short stacking energy: -716.833
Base-Backbone interact. energy: 1.782
local terms energy: -694.586603
where:
bonds (distance) C4'-P energy: -111.893
bonds (distance) P-C4' energy: -121.641
flat angles C4'-P-C4' energy: -142.415
flat angles P-C4'-P energy: -92.676
tors. eta vs tors. theta energy: -225.961
Dist. restrs. and SS energy: 2.307 (S_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: 433
Temperature: 1.200000
Total energy: -2399.891730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.891730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.177784 (E_RNA)
where:
Base-Base interactions energy: -1688.206
where: short stacking energy: -697.421
Base-Backbone interact. energy: -2.887
local terms energy: -713.085344
where:
bonds (distance) C4'-P energy: -115.262
bonds (distance) P-C4' energy: -128.561
flat angles C4'-P-C4' energy: -148.625
flat angles P-C4'-P energy: -100.875
tors. eta vs tors. theta energy: -219.762
Dist. restrs. and SS energy: 4.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -2232.241845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.241845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.795852 (E_RNA)
where:
Base-Base interactions energy: -1601.603
where: short stacking energy: -655.644
Base-Backbone interact. energy: 0.253
local terms energy: -640.445750
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -113.579
flat angles C4'-P-C4' energy: -130.513
flat angles P-C4'-P energy: -88.613
tors. eta vs tors. theta energy: -188.362
Dist. restrs. and SS energy: 9.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -2230.325009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.325009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.467042 (E_RNA)
where:
Base-Base interactions energy: -1543.604
where: short stacking energy: -628.535
Base-Backbone interact. energy: -4.989
local terms energy: -689.873985
where:
bonds (distance) C4'-P energy: -113.172
bonds (distance) P-C4' energy: -111.037
flat angles C4'-P-C4' energy: -154.077
flat angles P-C4'-P energy: -105.523
tors. eta vs tors. theta energy: -206.066
Dist. restrs. and SS energy: 8.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -2074.229302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.229302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.623031 (E_RNA)
where:
Base-Base interactions energy: -1476.198
where: short stacking energy: -594.469
Base-Backbone interact. energy: 1.395
local terms energy: -609.820594
where:
bonds (distance) C4'-P energy: -104.865
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -131.386
flat angles P-C4'-P energy: -78.735
tors. eta vs tors. theta energy: -189.374
Dist. restrs. and SS energy: 10.394 (S_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: 434
Temperature: 0.900000
Total energy: -2791.906615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.906615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.575876 (E_RNA)
where:
Base-Base interactions energy: -1971.435
where: short stacking energy: -833.081
Base-Backbone interact. energy: -2.531
local terms energy: -826.609616
where:
bonds (distance) C4'-P energy: -144.618
bonds (distance) P-C4' energy: -135.176
flat angles C4'-P-C4' energy: -175.859
flat angles P-C4'-P energy: -118.646
tors. eta vs tors. theta energy: -252.311
Dist. restrs. and SS energy: 8.669 (S_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: 434
Temperature: 0.950000
Total energy: -2716.403426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.403426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.074736 (E_RNA)
where:
Base-Base interactions energy: -1943.937
where: short stacking energy: -780.304
Base-Backbone interact. energy: -1.298
local terms energy: -780.840286
where:
bonds (distance) C4'-P energy: -129.918
bonds (distance) P-C4' energy: -140.298
flat angles C4'-P-C4' energy: -164.293
flat angles P-C4'-P energy: -108.646
tors. eta vs tors. theta energy: -237.684
Dist. restrs. and SS energy: 9.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2668.974169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.974169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.926662 (E_RNA)
where:
Base-Base interactions energy: -1898.093
where: short stacking energy: -770.835
Base-Backbone interact. energy: -1.152
local terms energy: -781.682247
where:
bonds (distance) C4'-P energy: -139.775
bonds (distance) P-C4' energy: -127.131
flat angles C4'-P-C4' energy: -158.232
flat angles P-C4'-P energy: -120.401
tors. eta vs tors. theta energy: -236.143
Dist. restrs. and SS energy: 11.952 (S_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: 434
Temperature: 1.050000
Total energy: -2601.674854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.674854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.711240 (E_RNA)
where:
Base-Base interactions energy: -1855.558
where: short stacking energy: -756.017
Base-Backbone interact. energy: 0.383
local terms energy: -752.536451
where:
bonds (distance) C4'-P energy: -113.570
bonds (distance) P-C4' energy: -137.094
flat angles C4'-P-C4' energy: -156.031
flat angles P-C4'-P energy: -111.751
tors. eta vs tors. theta energy: -234.090
Dist. restrs. and SS energy: 6.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2468.035113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.035113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.501624 (E_RNA)
where:
Base-Base interactions energy: -1737.129
where: short stacking energy: -728.856
Base-Backbone interact. energy: -1.041
local terms energy: -733.332097
where:
bonds (distance) C4'-P energy: -110.559
bonds (distance) P-C4' energy: -129.657
flat angles C4'-P-C4' energy: -153.484
flat angles P-C4'-P energy: -109.819
tors. eta vs tors. theta energy: -229.812
Dist. restrs. and SS energy: 3.467 (S_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: 434
Temperature: 1.150000
Total energy: -2438.028040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.028040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.869453 (E_RNA)
where:
Base-Base interactions energy: -1738.887
where: short stacking energy: -708.360
Base-Backbone interact. energy: -1.170
local terms energy: -701.812270
where:
bonds (distance) C4'-P energy: -128.159
bonds (distance) P-C4' energy: -108.473
flat angles C4'-P-C4' energy: -150.857
flat angles P-C4'-P energy: -90.618
tors. eta vs tors. theta energy: -223.705
Dist. restrs. and SS energy: 3.841 (S_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: 434
Temperature: 1.200000
Total energy: -2381.717772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.717772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.977181 (E_RNA)
where:
Base-Base interactions energy: -1703.079
where: short stacking energy: -709.334
Base-Backbone interact. energy: 1.513
local terms energy: -686.410651
where:
bonds (distance) C4'-P energy: -108.650
bonds (distance) P-C4' energy: -120.093
flat angles C4'-P-C4' energy: -154.028
flat angles P-C4'-P energy: -82.899
tors. eta vs tors. theta energy: -220.742
Dist. restrs. and SS energy: 6.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2215.852143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.852143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.938631 (E_RNA)
where:
Base-Base interactions energy: -1595.283
where: short stacking energy: -646.693
Base-Backbone interact. energy: 2.870
local terms energy: -631.525383
where:
bonds (distance) C4'-P energy: -106.486
bonds (distance) P-C4' energy: -98.905
flat angles C4'-P-C4' energy: -147.376
flat angles P-C4'-P energy: -85.126
tors. eta vs tors. theta energy: -193.632
Dist. restrs. and SS energy: 8.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -2212.265631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.265631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.838733 (E_RNA)
where:
Base-Base interactions energy: -1556.475
where: short stacking energy: -647.512
Base-Backbone interact. energy: 8.653
local terms energy: -674.016797
where:
bonds (distance) C4'-P energy: -115.810
bonds (distance) P-C4' energy: -135.795
flat angles C4'-P-C4' energy: -138.743
flat angles P-C4'-P energy: -87.610
tors. eta vs tors. theta energy: -196.059
Dist. restrs. and SS energy: 9.573 (S_DIST_RNA)
chem. 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: -2038.817586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.817586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.842246 (E_RNA)
where:
Base-Base interactions energy: -1463.986
where: short stacking energy: -593.033
Base-Backbone interact. energy: 4.082
local terms energy: -595.938278
where:
bonds (distance) C4'-P energy: -110.495
bonds (distance) P-C4' energy: -107.200
flat angles C4'-P-C4' energy: -139.472
flat angles P-C4'-P energy: -66.272
tors. eta vs tors. theta energy: -172.499
Dist. restrs. and SS energy: 17.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2801.991410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.991410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.034487 (E_RNA)
where:
Base-Base interactions energy: -1976.835
where: short stacking energy: -801.494
Base-Backbone interact. energy: 3.220
local terms energy: -834.418879
where:
bonds (distance) C4'-P energy: -152.119
bonds (distance) P-C4' energy: -148.815
flat angles C4'-P-C4' energy: -167.781
flat angles P-C4'-P energy: -114.374
tors. eta vs tors. theta energy: -251.330
Dist. restrs. and SS energy: 6.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2698.125740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.125740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.892785 (E_RNA)
where:
Base-Base interactions energy: -1929.039
where: short stacking energy: -771.352
Base-Backbone interact. energy: -0.348
local terms energy: -776.505879
where:
bonds (distance) C4'-P energy: -121.269
bonds (distance) P-C4' energy: -138.022
flat angles C4'-P-C4' energy: -164.591
flat angles P-C4'-P energy: -114.964
tors. eta vs tors. theta energy: -237.661
Dist. restrs. and SS energy: 7.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2672.231072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.231072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.731175 (E_RNA)
where:
Base-Base interactions energy: -1897.769
where: short stacking energy: -772.236
Base-Backbone interact. energy: -4.381
local terms energy: -780.581692
where:
bonds (distance) C4'-P energy: -120.827
bonds (distance) P-C4' energy: -135.122
flat angles C4'-P-C4' energy: -169.755
flat angles P-C4'-P energy: -110.546
tors. eta vs tors. theta energy: -244.332
Dist. restrs. and SS energy: 10.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2572.489991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.489991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.262209 (E_RNA)
where:
Base-Base interactions energy: -1830.154
where: short stacking energy: -758.346
Base-Backbone interact. energy: -0.236
local terms energy: -746.871783
where:
bonds (distance) C4'-P energy: -134.032
bonds (distance) P-C4' energy: -131.950
flat angles C4'-P-C4' energy: -152.281
flat angles P-C4'-P energy: -94.712
tors. eta vs tors. theta energy: -233.898
Dist. restrs. and SS energy: 4.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2512.558146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.558146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.953894 (E_RNA)
where:
Base-Base interactions energy: -1777.717
where: short stacking energy: -728.714
Base-Backbone interact. energy: 0.638
local terms energy: -739.874380
where:
bonds (distance) C4'-P energy: -124.384
bonds (distance) P-C4' energy: -120.675
flat angles C4'-P-C4' energy: -147.448
flat angles P-C4'-P energy: -110.639
tors. eta vs tors. theta energy: -236.728
Dist. restrs. and SS energy: 4.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2411.240897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.240897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.362161 (E_RNA)
where:
Base-Base interactions energy: -1701.539
where: short stacking energy: -692.869
Base-Backbone interact. energy: -0.951
local terms energy: -713.872124
where:
bonds (distance) C4'-P energy: -130.880
bonds (distance) P-C4' energy: -120.314
flat angles C4'-P-C4' energy: -149.586
flat angles P-C4'-P energy: -101.711
tors. eta vs tors. theta energy: -211.381
Dist. restrs. and SS energy: 5.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2401.099334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.099334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.244337 (E_RNA)
where:
Base-Base interactions energy: -1721.454
where: short stacking energy: -702.357
Base-Backbone interact. energy: -2.784
local terms energy: -682.005920
where:
bonds (distance) C4'-P energy: -109.670
bonds (distance) P-C4' energy: -120.238
flat angles C4'-P-C4' energy: -135.733
flat angles P-C4'-P energy: -89.381
tors. eta vs tors. theta energy: -226.983
Dist. restrs. and SS energy: 5.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2254.264489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.264489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.013934 (E_RNA)
where:
Base-Base interactions energy: -1622.531
where: short stacking energy: -659.618
Base-Backbone interact. energy: 1.242
local terms energy: -647.724600
where:
bonds (distance) C4'-P energy: -99.230
bonds (distance) P-C4' energy: -99.176
flat angles C4'-P-C4' energy: -147.693
flat angles P-C4'-P energy: -94.280
tors. eta vs tors. theta energy: -207.346
Dist. restrs. and SS energy: 14.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -2146.857394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.857394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.464073 (E_RNA)
where:
Base-Base interactions energy: -1555.584
where: short stacking energy: -631.831
Base-Backbone interact. energy: 0.300
local terms energy: -604.180109
where:
bonds (distance) C4'-P energy: -110.568
bonds (distance) P-C4' energy: -85.949
flat angles C4'-P-C4' energy: -140.984
flat angles P-C4'-P energy: -75.619
tors. eta vs tors. theta energy: -191.060
Dist. restrs. and SS energy: 12.607 (S_DIST_RNA)
chem. 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: -2058.301137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.301137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.697384 (E_RNA)
where:
Base-Base interactions energy: -1491.354
where: short stacking energy: -593.325
Base-Backbone interact. energy: -1.077
local terms energy: -587.265982
where:
bonds (distance) C4'-P energy: -106.893
bonds (distance) P-C4' energy: -101.743
flat angles C4'-P-C4' energy: -131.066
flat angles P-C4'-P energy: -74.391
tors. eta vs tors. theta energy: -173.174
Dist. restrs. and SS energy: 21.396 (S_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: 436
Temperature: 0.900000
Total energy: -2812.970475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.970475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.193408 (E_RNA)
where:
Base-Base interactions energy: -1997.290
where: short stacking energy: -824.725
Base-Backbone interact. energy: -2.486
local terms energy: -820.418002
where:
bonds (distance) C4'-P energy: -142.037
bonds (distance) P-C4' energy: -128.614
flat angles C4'-P-C4' energy: -171.643
flat angles P-C4'-P energy: -128.225
tors. eta vs tors. theta energy: -249.899
Dist. restrs. and SS energy: 7.223 (S_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: 436
Temperature: 0.950000
Total energy: -2701.010138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.010138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.131421 (E_RNA)
where:
Base-Base interactions energy: -1910.058
where: short stacking energy: -756.120
Base-Backbone interact. energy: -0.612
local terms energy: -798.460716
where:
bonds (distance) C4'-P energy: -150.756
bonds (distance) P-C4' energy: -132.771
flat angles C4'-P-C4' energy: -166.800
flat angles P-C4'-P energy: -116.929
tors. eta vs tors. theta energy: -231.205
Dist. restrs. and SS energy: 8.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2672.629815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.629815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.916277 (E_RNA)
where:
Base-Base interactions energy: -1902.499
where: short stacking energy: -779.653
Base-Backbone interact. energy: -2.917
local terms energy: -778.500009
where:
bonds (distance) C4'-P energy: -128.493
bonds (distance) P-C4' energy: -131.912
flat angles C4'-P-C4' energy: -162.922
flat angles P-C4'-P energy: -113.430
tors. eta vs tors. theta energy: -241.743
Dist. restrs. and SS energy: 11.286 (S_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: 436
Temperature: 1.050000
Total energy: -2587.611104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.611104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.067454 (E_RNA)
where:
Base-Base interactions energy: -1854.253
where: short stacking energy: -743.035
Base-Backbone interact. energy: -2.975
local terms energy: -737.839603
where:
bonds (distance) C4'-P energy: -110.757
bonds (distance) P-C4' energy: -134.185
flat angles C4'-P-C4' energy: -148.907
flat angles P-C4'-P energy: -103.728
tors. eta vs tors. theta energy: -240.262
Dist. restrs. and SS energy: 7.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2504.973633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.973633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.830678 (E_RNA)
where:
Base-Base interactions energy: -1773.414
where: short stacking energy: -726.314
Base-Backbone interact. energy: -3.902
local terms energy: -732.514522
where:
bonds (distance) C4'-P energy: -121.979
bonds (distance) P-C4' energy: -138.216
flat angles C4'-P-C4' energy: -144.857
flat angles P-C4'-P energy: -98.584
tors. eta vs tors. theta energy: -228.878
Dist. restrs. and SS energy: 4.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2416.576569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.576569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.232715 (E_RNA)
where:
Base-Base interactions energy: -1718.919
where: short stacking energy: -717.405
Base-Backbone interact. energy: 0.544
local terms energy: -701.857214
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -115.033
flat angles C4'-P-C4' energy: -154.650
flat angles P-C4'-P energy: -97.805
tors. eta vs tors. theta energy: -224.514
Dist. restrs. and SS energy: 3.656 (S_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: 436
Temperature: 1.200000
Total energy: -2382.363058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.363058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.588350 (E_RNA)
where:
Base-Base interactions energy: -1698.199
where: short stacking energy: -692.543
Base-Backbone interact. energy: 0.210
local terms energy: -690.599169
where:
bonds (distance) C4'-P energy: -123.751
bonds (distance) P-C4' energy: -106.276
flat angles C4'-P-C4' energy: -143.201
flat angles P-C4'-P energy: -95.359
tors. eta vs tors. theta energy: -222.012
Dist. restrs. and SS energy: 6.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2221.258658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.258658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.845212 (E_RNA)
where:
Base-Base interactions energy: -1574.552
where: short stacking energy: -636.678
Base-Backbone interact. energy: -4.428
local terms energy: -651.865051
where:
bonds (distance) C4'-P energy: -118.452
bonds (distance) P-C4' energy: -126.479
flat angles C4'-P-C4' energy: -135.233
flat angles P-C4'-P energy: -70.593
tors. eta vs tors. theta energy: -201.108
Dist. restrs. and SS energy: 9.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -2142.003522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.003522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.008524 (E_RNA)
where:
Base-Base interactions energy: -1519.018
where: short stacking energy: -608.254
Base-Backbone interact. energy: 0.274
local terms energy: -635.264287
where:
bonds (distance) C4'-P energy: -121.659
bonds (distance) P-C4' energy: -105.173
flat angles C4'-P-C4' energy: -129.784
flat angles P-C4'-P energy: -90.683
tors. eta vs tors. theta energy: -187.966
Dist. restrs. and SS energy: 12.005 (S_DIST_RNA)
chem. 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: -2053.436867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.436867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.076353 (E_RNA)
where:
Base-Base interactions energy: -1459.837
where: short stacking energy: -567.065
Base-Backbone interact. energy: 4.844
local terms energy: -617.083455
where:
bonds (distance) C4'-P energy: -114.000
bonds (distance) P-C4' energy: -112.697
flat angles C4'-P-C4' energy: -135.597
flat angles P-C4'-P energy: -70.786
tors. eta vs tors. theta energy: -184.004
Dist. restrs. and SS energy: 18.639 (S_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: 437
Temperature: 0.900000
Total energy: -2807.151362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.151362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.749504 (E_RNA)
where:
Base-Base interactions energy: -2002.857
where: short stacking energy: -802.935
Base-Backbone interact. energy: -3.701
local terms energy: -808.191957
where:
bonds (distance) C4'-P energy: -143.408
bonds (distance) P-C4' energy: -128.875
flat angles C4'-P-C4' energy: -166.428
flat angles P-C4'-P energy: -118.154
tors. eta vs tors. theta energy: -251.326
Dist. restrs. and SS energy: 7.598 (S_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: 437
Temperature: 0.950000
Total energy: -2697.883994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.883994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.623562 (E_RNA)
where:
Base-Base interactions energy: -1948.980
where: short stacking energy: -791.762
Base-Backbone interact. energy: -0.942
local terms energy: -757.700985
where:
bonds (distance) C4'-P energy: -131.564
bonds (distance) P-C4' energy: -127.803
flat angles C4'-P-C4' energy: -150.703
flat angles P-C4'-P energy: -118.361
tors. eta vs tors. theta energy: -229.269
Dist. restrs. and SS energy: 9.740 (S_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: 437
Temperature: 1.000000
Total energy: -2657.093724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.093724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.660035 (E_RNA)
where:
Base-Base interactions energy: -1875.455
where: short stacking energy: -768.893
Base-Backbone interact. energy: 1.914
local terms energy: -794.118885
where:
bonds (distance) C4'-P energy: -138.615
bonds (distance) P-C4' energy: -126.960
flat angles C4'-P-C4' energy: -158.891
flat angles P-C4'-P energy: -121.338
tors. eta vs tors. theta energy: -248.315
Dist. restrs. and SS energy: 10.566 (S_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: 437
Temperature: 1.050000
Total energy: -2587.443190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.443190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.060153 (E_RNA)
where:
Base-Base interactions energy: -1835.519
where: short stacking energy: -747.358
Base-Backbone interact. energy: -2.743
local terms energy: -758.798344
where:
bonds (distance) C4'-P energy: -131.608
bonds (distance) P-C4' energy: -134.844
flat angles C4'-P-C4' energy: -144.619
flat angles P-C4'-P energy: -111.177
tors. eta vs tors. theta energy: -236.550
Dist. restrs. and SS energy: 9.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2484.747030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.747030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.698553 (E_RNA)
where:
Base-Base interactions energy: -1781.034
where: short stacking energy: -751.489
Base-Backbone interact. energy: -1.780
local terms energy: -704.884265
where:
bonds (distance) C4'-P energy: -111.681
bonds (distance) P-C4' energy: -124.213
flat angles C4'-P-C4' energy: -142.308
flat angles P-C4'-P energy: -100.741
tors. eta vs tors. theta energy: -225.941
Dist. restrs. and SS energy: 2.952 (S_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: 437
Temperature: 1.150000
Total energy: -2448.047170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.047170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.437999 (E_RNA)
where:
Base-Base interactions energy: -1746.194
where: short stacking energy: -698.390
Base-Backbone interact. energy: -1.622
local terms energy: -702.621481
where:
bonds (distance) C4'-P energy: -119.396
bonds (distance) P-C4' energy: -125.774
flat angles C4'-P-C4' energy: -150.098
flat angles P-C4'-P energy: -89.672
tors. eta vs tors. theta energy: -217.682
Dist. restrs. and SS energy: 2.391 (S_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: 437
Temperature: 1.200000
Total energy: -2387.027153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.027153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.618625 (E_RNA)
where:
Base-Base interactions energy: -1671.608
where: short stacking energy: -659.314
Base-Backbone interact. energy: -1.722
local terms energy: -720.288356
where:
bonds (distance) C4'-P energy: -129.828
bonds (distance) P-C4' energy: -119.742
flat angles C4'-P-C4' energy: -147.184
flat angles P-C4'-P energy: -107.084
tors. eta vs tors. theta energy: -216.451
Dist. restrs. and SS energy: 6.591 (S_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: 437
Temperature: 1.250000
Total energy: -2207.714588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.714588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.415911 (E_RNA)
where:
Base-Base interactions energy: -1580.090
where: short stacking energy: -622.708
Base-Backbone interact. energy: -2.111
local terms energy: -634.214810
where:
bonds (distance) C4'-P energy: -95.779
bonds (distance) P-C4' energy: -115.031
flat angles C4'-P-C4' energy: -140.970
flat angles P-C4'-P energy: -90.491
tors. eta vs tors. theta energy: -191.944
Dist. restrs. and SS energy: 8.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -2138.070304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.070304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.312723 (E_RNA)
where:
Base-Base interactions energy: -1536.711
where: short stacking energy: -631.673
Base-Backbone interact. energy: 0.509
local terms energy: -616.110463
where:
bonds (distance) C4'-P energy: -115.092
bonds (distance) P-C4' energy: -116.697
flat angles C4'-P-C4' energy: -130.259
flat angles P-C4'-P energy: -62.970
tors. eta vs tors. theta energy: -191.092
Dist. restrs. and SS energy: 14.242 (S_DIST_RNA)
chem. 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: -1977.056649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.056649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.548546 (E_RNA)
where:
Base-Base interactions energy: -1421.047
where: short stacking energy: -567.896
Base-Backbone interact. energy: 0.385
local terms energy: -567.886380
where:
bonds (distance) C4'-P energy: -101.310
bonds (distance) P-C4' energy: -104.293
flat angles C4'-P-C4' energy: -116.698
flat angles P-C4'-P energy: -71.281
tors. eta vs tors. theta energy: -174.305
Dist. restrs. and SS energy: 11.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2770.328149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.328149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.741683 (E_RNA)
where:
Base-Base interactions energy: -1975.708
where: short stacking energy: -818.293
Base-Backbone interact. energy: 0.829
local terms energy: -799.863094
where:
bonds (distance) C4'-P energy: -143.257
bonds (distance) P-C4' energy: -132.697
flat angles C4'-P-C4' energy: -171.506
flat angles P-C4'-P energy: -104.081
tors. eta vs tors. theta energy: -248.322
Dist. restrs. and SS energy: 4.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2776.106458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.106458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.978905 (E_RNA)
where:
Base-Base interactions energy: -1967.655
where: short stacking energy: -810.837
Base-Backbone interact. energy: -3.490
local terms energy: -811.834550
where:
bonds (distance) C4'-P energy: -136.778
bonds (distance) P-C4' energy: -140.863
flat angles C4'-P-C4' energy: -162.361
flat angles P-C4'-P energy: -113.710
tors. eta vs tors. theta energy: -258.122
Dist. restrs. and SS energy: 6.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2634.454247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.454247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.113759 (E_RNA)
where:
Base-Base interactions energy: -1859.509
where: short stacking energy: -766.561
Base-Backbone interact. energy: -2.855
local terms energy: -782.750740
where:
bonds (distance) C4'-P energy: -136.000
bonds (distance) P-C4' energy: -127.631
flat angles C4'-P-C4' energy: -165.869
flat angles P-C4'-P energy: -115.485
tors. eta vs tors. theta energy: -237.765
Dist. restrs. and SS energy: 10.660 (S_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: 438
Temperature: 1.050000
Total energy: -2567.028051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.028051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.308900 (E_RNA)
where:
Base-Base interactions energy: -1822.922
where: short stacking energy: -747.698
Base-Backbone interact. energy: -1.520
local terms energy: -749.867298
where:
bonds (distance) C4'-P energy: -141.980
bonds (distance) P-C4' energy: -135.414
flat angles C4'-P-C4' energy: -152.906
flat angles P-C4'-P energy: -88.169
tors. eta vs tors. theta energy: -231.398
Dist. restrs. and SS energy: 7.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2513.859662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.859662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.596516 (E_RNA)
where:
Base-Base interactions energy: -1792.312
where: short stacking energy: -735.349
Base-Backbone interact. energy: -2.163
local terms energy: -722.121893
where:
bonds (distance) C4'-P energy: -114.057
bonds (distance) P-C4' energy: -119.793
flat angles C4'-P-C4' energy: -144.220
flat angles P-C4'-P energy: -113.628
tors. eta vs tors. theta energy: -230.424
Dist. restrs. and SS energy: 2.737 (S_DIST_RNA)
chem. 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: -2440.096558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.096558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.670674 (E_RNA)
where:
Base-Base interactions energy: -1751.725
where: short stacking energy: -699.040
Base-Backbone interact. energy: -3.179
local terms energy: -686.766239
where:
bonds (distance) C4'-P energy: -102.884
bonds (distance) P-C4' energy: -104.803
flat angles C4'-P-C4' energy: -146.708
flat angles P-C4'-P energy: -116.992
tors. eta vs tors. theta energy: -215.379
Dist. restrs. and SS energy: 1.574 (S_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: 438
Temperature: 1.200000
Total energy: -2332.754932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.754932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.704744 (E_RNA)
where:
Base-Base interactions energy: -1667.462
where: short stacking energy: -662.969
Base-Backbone interact. energy: -2.676
local terms energy: -670.566944
where:
bonds (distance) C4'-P energy: -101.049
bonds (distance) P-C4' energy: -114.613
flat angles C4'-P-C4' energy: -147.416
flat angles P-C4'-P energy: -100.869
tors. eta vs tors. theta energy: -206.620
Dist. restrs. and SS energy: 7.950 (S_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: -2325.256258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.256258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.223367 (E_RNA)
where:
Base-Base interactions energy: -1650.906
where: short stacking energy: -685.664
Base-Backbone interact. energy: 2.985
local terms energy: -683.302767
where:
bonds (distance) C4'-P energy: -114.908
bonds (distance) P-C4' energy: -99.136
flat angles C4'-P-C4' energy: -153.130
flat angles P-C4'-P energy: -102.532
tors. eta vs tors. theta energy: -213.596
Dist. restrs. and SS energy: 5.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -2168.338312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.338312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.082522 (E_RNA)
where:
Base-Base interactions energy: -1533.309
where: short stacking energy: -627.208
Base-Backbone interact. energy: -2.744
local terms energy: -642.029552
where:
bonds (distance) C4'-P energy: -128.550
bonds (distance) P-C4' energy: -87.878
flat angles C4'-P-C4' energy: -157.138
flat angles P-C4'-P energy: -77.343
tors. eta vs tors. theta energy: -191.122
Dist. restrs. and SS energy: 9.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1972.906749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.906749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.837572 (E_RNA)
where:
Base-Base interactions energy: -1391.152
where: short stacking energy: -550.725
Base-Backbone interact. energy: -0.702
local terms energy: -599.984443
where:
bonds (distance) C4'-P energy: -102.730
bonds (distance) P-C4' energy: -110.539
flat angles C4'-P-C4' energy: -125.403
flat angles P-C4'-P energy: -97.383
tors. eta vs tors. theta energy: -163.929
Dist. restrs. and SS energy: 18.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2754.725968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.725968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.794219 (E_RNA)
where:
Base-Base interactions energy: -1951.830
where: short stacking energy: -808.294
Base-Backbone interact. energy: -1.451
local terms energy: -807.512534
where:
bonds (distance) C4'-P energy: -138.254
bonds (distance) P-C4' energy: -136.659
flat angles C4'-P-C4' energy: -165.540
flat angles P-C4'-P energy: -125.796
tors. eta vs tors. theta energy: -241.264
Dist. restrs. and SS energy: 6.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2754.131010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.131010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.007573 (E_RNA)
where:
Base-Base interactions energy: -1971.663
where: short stacking energy: -813.057
Base-Backbone interact. energy: 0.822
local terms energy: -791.166109
where:
bonds (distance) C4'-P energy: -129.603
bonds (distance) P-C4' energy: -140.553
flat angles C4'-P-C4' energy: -163.898
flat angles P-C4'-P energy: -110.790
tors. eta vs tors. theta energy: -246.322
Dist. restrs. and SS energy: 7.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2682.520080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.520080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.670118 (E_RNA)
where:
Base-Base interactions energy: -1925.055
where: short stacking energy: -766.018
Base-Backbone interact. energy: -2.468
local terms energy: -764.147131
where:
bonds (distance) C4'-P energy: -128.901
bonds (distance) P-C4' energy: -129.720
flat angles C4'-P-C4' energy: -152.476
flat angles P-C4'-P energy: -108.234
tors. eta vs tors. theta energy: -244.817
Dist. restrs. and SS energy: 9.150 (S_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: 439
Temperature: 1.050000
Total energy: -2571.877830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.877830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.603014 (E_RNA)
where:
Base-Base interactions energy: -1850.941
where: short stacking energy: -725.196
Base-Backbone interact. energy: 4.785
local terms energy: -734.447244
where:
bonds (distance) C4'-P energy: -119.840
bonds (distance) P-C4' energy: -129.942
flat angles C4'-P-C4' energy: -154.777
flat angles P-C4'-P energy: -93.922
tors. eta vs tors. theta energy: -235.967
Dist. restrs. and SS energy: 8.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2502.402294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.402294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.318462 (E_RNA)
where:
Base-Base interactions energy: -1756.756
where: short stacking energy: -719.695
Base-Backbone interact. energy: -1.420
local terms energy: -747.141961
where:
bonds (distance) C4'-P energy: -118.767
bonds (distance) P-C4' energy: -130.329
flat angles C4'-P-C4' energy: -155.984
flat angles P-C4'-P energy: -110.488
tors. eta vs tors. theta energy: -231.574
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2424.409780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.409780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.438813 (E_RNA)
where:
Base-Base interactions energy: -1745.276
where: short stacking energy: -696.488
Base-Backbone interact. energy: -0.784
local terms energy: -684.378122
where:
bonds (distance) C4'-P energy: -110.536
bonds (distance) P-C4' energy: -123.255
flat angles C4'-P-C4' energy: -145.068
flat angles P-C4'-P energy: -103.130
tors. eta vs tors. theta energy: -202.389
Dist. restrs. and SS energy: 6.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2303.106025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.106025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.701924 (E_RNA)
where:
Base-Base interactions energy: -1648.634
where: short stacking energy: -649.067
Base-Backbone interact. energy: -1.833
local terms energy: -661.235520
where:
bonds (distance) C4'-P energy: -107.477
bonds (distance) P-C4' energy: -117.112
flat angles C4'-P-C4' energy: -143.176
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -197.545
Dist. restrs. and SS energy: 8.596 (S_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: -2287.126777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.126777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.939345 (E_RNA)
where:
Base-Base interactions energy: -1649.248
where: short stacking energy: -664.997
Base-Backbone interact. energy: 0.580
local terms energy: -643.271049
where:
bonds (distance) C4'-P energy: -90.284
bonds (distance) P-C4' energy: -118.461
flat angles C4'-P-C4' energy: -139.399
flat angles P-C4'-P energy: -76.212
tors. eta vs tors. theta energy: -218.914
Dist. restrs. and SS energy: 4.813 (S_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: 439
Temperature: 1.300000
Total energy: -2178.087652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.087652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.411036 (E_RNA)
where:
Base-Base interactions energy: -1546.225
where: short stacking energy: -621.174
Base-Backbone interact. energy: -1.786
local terms energy: -642.400226
where:
bonds (distance) C4'-P energy: -112.954
bonds (distance) P-C4' energy: -113.341
flat angles C4'-P-C4' energy: -140.326
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -190.262
Dist. restrs. and SS energy: 12.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -2003.374683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.374683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.208695 (E_RNA)
where:
Base-Base interactions energy: -1425.214
where: short stacking energy: -576.439
Base-Backbone interact. energy: -0.380
local terms energy: -600.615069
where:
bonds (distance) C4'-P energy: -108.093
bonds (distance) P-C4' energy: -111.390
flat angles C4'-P-C4' energy: -138.645
flat angles P-C4'-P energy: -65.769
tors. eta vs tors. theta energy: -176.718
Dist. restrs. and SS energy: 22.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2745.664800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.664800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.267159 (E_RNA)
where:
Base-Base interactions energy: -1941.933
where: short stacking energy: -787.264
Base-Backbone interact. energy: -2.718
local terms energy: -806.616372
where:
bonds (distance) C4'-P energy: -134.591
bonds (distance) P-C4' energy: -153.905
flat angles C4'-P-C4' energy: -154.796
flat angles P-C4'-P energy: -113.511
tors. eta vs tors. theta energy: -249.813
Dist. restrs. and SS energy: 5.602 (S_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: 440
Temperature: 0.950000
Total energy: -2712.377373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.377373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.550233 (E_RNA)
where:
Base-Base interactions energy: -1925.494
where: short stacking energy: -782.598
Base-Backbone interact. energy: -0.838
local terms energy: -794.217585
where:
bonds (distance) C4'-P energy: -149.028
bonds (distance) P-C4' energy: -125.090
flat angles C4'-P-C4' energy: -162.744
flat angles P-C4'-P energy: -116.895
tors. eta vs tors. theta energy: -240.461
Dist. restrs. and SS energy: 8.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2663.026001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.026001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.722190 (E_RNA)
where:
Base-Base interactions energy: -1874.462
where: short stacking energy: -771.016
Base-Backbone interact. energy: -2.765
local terms energy: -798.495387
where:
bonds (distance) C4'-P energy: -138.821
bonds (distance) P-C4' energy: -134.858
flat angles C4'-P-C4' energy: -159.006
flat angles P-C4'-P energy: -121.427
tors. eta vs tors. theta energy: -244.384
Dist. restrs. and SS energy: 12.696 (S_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: 440
Temperature: 1.050000
Total energy: -2570.281127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.281127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.497916 (E_RNA)
where:
Base-Base interactions energy: -1836.165
where: short stacking energy: -764.032
Base-Backbone interact. energy: 1.166
local terms energy: -744.498806
where:
bonds (distance) C4'-P energy: -121.759
bonds (distance) P-C4' energy: -131.512
flat angles C4'-P-C4' energy: -153.207
flat angles P-C4'-P energy: -110.980
tors. eta vs tors. theta energy: -227.042
Dist. restrs. and SS energy: 9.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2485.631400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.631400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.634363 (E_RNA)
where:
Base-Base interactions energy: -1771.340
where: short stacking energy: -686.258
Base-Backbone interact. energy: -2.250
local terms energy: -715.044418
where:
bonds (distance) C4'-P energy: -130.278
bonds (distance) P-C4' energy: -105.368
flat angles C4'-P-C4' energy: -154.751
flat angles P-C4'-P energy: -113.610
tors. eta vs tors. theta energy: -211.037
Dist. restrs. and SS energy: 3.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2463.327763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.327763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.775389 (E_RNA)
where:
Base-Base interactions energy: -1728.440
where: short stacking energy: -724.812
Base-Backbone interact. energy: -1.933
local terms energy: -738.401879
where:
bonds (distance) C4'-P energy: -124.625
bonds (distance) P-C4' energy: -142.307
flat angles C4'-P-C4' energy: -138.865
flat angles P-C4'-P energy: -106.107
tors. eta vs tors. theta energy: -226.498
Dist. restrs. and SS energy: 5.448 (S_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: 440
Temperature: 1.200000
Total energy: -2323.909813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.909813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.356078 (E_RNA)
where:
Base-Base interactions energy: -1659.707
where: short stacking energy: -672.479
Base-Backbone interact. energy: -3.382
local terms energy: -665.267163
where:
bonds (distance) C4'-P energy: -108.548
bonds (distance) P-C4' energy: -110.945
flat angles C4'-P-C4' energy: -145.990
flat angles P-C4'-P energy: -84.832
tors. eta vs tors. theta energy: -214.952
Dist. restrs. and SS energy: 4.446 (S_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: 440
Temperature: 1.250000
Total energy: -2247.600326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.600326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.258533 (E_RNA)
where:
Base-Base interactions energy: -1594.061
where: short stacking energy: -616.249
Base-Backbone interact. energy: -1.080
local terms energy: -666.116680
where:
bonds (distance) C4'-P energy: -117.825
bonds (distance) P-C4' energy: -129.409
flat angles C4'-P-C4' energy: -130.701
flat angles P-C4'-P energy: -96.402
tors. eta vs tors. theta energy: -191.779
Dist. restrs. and SS energy: 13.658 (S_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: 440
Temperature: 1.300000
Total energy: -2160.254052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.254052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.612050 (E_RNA)
where:
Base-Base interactions energy: -1569.134
where: short stacking energy: -620.163
Base-Backbone interact. energy: 0.295
local terms energy: -599.772661
where:
bonds (distance) C4'-P energy: -115.761
bonds (distance) P-C4' energy: -82.205
flat angles C4'-P-C4' energy: -129.047
flat angles P-C4'-P energy: -90.935
tors. eta vs tors. theta energy: -181.824
Dist. restrs. and SS energy: 8.358 (S_DIST_RNA)
chem. 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: -2003.672933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.672933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.470844 (E_RNA)
where:
Base-Base interactions energy: -1434.008
where: short stacking energy: -568.816
Base-Backbone interact. energy: -1.090
local terms energy: -591.373016
where:
bonds (distance) C4'-P energy: -104.747
bonds (distance) P-C4' energy: -116.030
flat angles C4'-P-C4' energy: -125.200
flat angles P-C4'-P energy: -81.818
tors. eta vs tors. theta energy: -163.577
Dist. restrs. and SS energy: 22.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2751.184566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.184566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.820849 (E_RNA)
where:
Base-Base interactions energy: -1950.141
where: short stacking energy: -798.965
Base-Backbone interact. energy: -4.372
local terms energy: -802.308460
where:
bonds (distance) C4'-P energy: -141.168
bonds (distance) P-C4' energy: -131.071
flat angles C4'-P-C4' energy: -167.865
flat angles P-C4'-P energy: -117.566
tors. eta vs tors. theta energy: -244.638
Dist. restrs. and SS energy: 5.636 (S_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: 441
Temperature: 0.950000
Total energy: -2752.064673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.064673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.132478 (E_RNA)
where:
Base-Base interactions energy: -1961.886
where: short stacking energy: -793.817
Base-Backbone interact. energy: -2.194
local terms energy: -795.052241
where:
bonds (distance) C4'-P energy: -133.611
bonds (distance) P-C4' energy: -138.729
flat angles C4'-P-C4' energy: -156.426
flat angles P-C4'-P energy: -112.599
tors. eta vs tors. theta energy: -253.686
Dist. restrs. and SS energy: 7.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2632.621139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.621139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.557876 (E_RNA)
where:
Base-Base interactions energy: -1869.971
where: short stacking energy: -745.046
Base-Backbone interact. energy: -1.535
local terms energy: -769.051641
where:
bonds (distance) C4'-P energy: -132.023
bonds (distance) P-C4' energy: -139.293
flat angles C4'-P-C4' energy: -152.217
flat angles P-C4'-P energy: -112.507
tors. eta vs tors. theta energy: -233.010
Dist. restrs. and SS energy: 7.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2590.529128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.529128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.275083 (E_RNA)
where:
Base-Base interactions energy: -1865.215
where: short stacking energy: -750.139
Base-Backbone interact. energy: -0.168
local terms energy: -734.892579
where:
bonds (distance) C4'-P energy: -115.115
bonds (distance) P-C4' energy: -133.705
flat angles C4'-P-C4' energy: -148.508
flat angles P-C4'-P energy: -105.421
tors. eta vs tors. theta energy: -232.144
Dist. restrs. and SS energy: 9.746 (S_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: 441
Temperature: 1.100000
Total energy: -2456.515511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.515511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.986254 (E_RNA)
where:
Base-Base interactions energy: -1747.107
where: short stacking energy: -706.795
Base-Backbone interact. energy: -1.675
local terms energy: -713.203396
where:
bonds (distance) C4'-P energy: -119.493
bonds (distance) P-C4' energy: -124.192
flat angles C4'-P-C4' energy: -142.868
flat angles P-C4'-P energy: -93.402
tors. eta vs tors. theta energy: -233.248
Dist. restrs. and SS energy: 5.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2421.663903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.663903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.617347 (E_RNA)
where:
Base-Base interactions energy: -1725.605
where: short stacking energy: -705.531
Base-Backbone interact. energy: -3.726
local terms energy: -697.285796
where:
bonds (distance) C4'-P energy: -130.080
bonds (distance) P-C4' energy: -109.287
flat angles C4'-P-C4' energy: -142.373
flat angles P-C4'-P energy: -98.739
tors. eta vs tors. theta energy: -216.807
Dist. restrs. and SS energy: 4.953 (S_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: 441
Temperature: 1.200000
Total energy: -2369.251039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.251039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.617278 (E_RNA)
where:
Base-Base interactions energy: -1700.653
where: short stacking energy: -705.914
Base-Backbone interact. energy: -1.977
local terms energy: -669.986842
where:
bonds (distance) C4'-P energy: -108.133
bonds (distance) P-C4' energy: -111.511
flat angles C4'-P-C4' energy: -135.752
flat angles P-C4'-P energy: -95.252
tors. eta vs tors. theta energy: -219.339
Dist. restrs. and SS energy: 3.366 (S_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: 441
Temperature: 1.250000
Total energy: -2299.269307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.269307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.008770 (E_RNA)
where:
Base-Base interactions energy: -1646.138
where: short stacking energy: -674.711
Base-Backbone interact. energy: -2.906
local terms energy: -660.965209
where:
bonds (distance) C4'-P energy: -109.711
bonds (distance) P-C4' energy: -110.347
flat angles C4'-P-C4' energy: -148.273
flat angles P-C4'-P energy: -91.963
tors. eta vs tors. theta energy: -200.671
Dist. restrs. and SS energy: 10.739 (S_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: 441
Temperature: 1.300000
Total energy: -2126.207143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.207143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.838742 (E_RNA)
where:
Base-Base interactions energy: -1540.903
where: short stacking energy: -607.229
Base-Backbone interact. energy: -3.133
local terms energy: -591.802674
where:
bonds (distance) C4'-P energy: -111.089
bonds (distance) P-C4' energy: -101.614
flat angles C4'-P-C4' energy: -118.064
flat angles P-C4'-P energy: -73.611
tors. eta vs tors. theta energy: -187.424
Dist. restrs. and SS energy: 9.632 (S_DIST_RNA)
chem. 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: -1981.100014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.100014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.173559 (E_RNA)
where:
Base-Base interactions energy: -1383.501
where: short stacking energy: -551.911
Base-Backbone interact. energy: -3.646
local terms energy: -619.027024
where:
bonds (distance) C4'-P energy: -95.070
bonds (distance) P-C4' energy: -122.384
flat angles C4'-P-C4' energy: -136.422
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: -175.367
Dist. restrs. and SS energy: 25.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2781.409759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.409759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.003533 (E_RNA)
where:
Base-Base interactions energy: -1968.942
where: short stacking energy: -783.557
Base-Backbone interact. energy: 0.788
local terms energy: -820.849610
where:
bonds (distance) C4'-P energy: -140.500
bonds (distance) P-C4' energy: -140.872
flat angles C4'-P-C4' energy: -161.484
flat angles P-C4'-P energy: -126.143
tors. eta vs tors. theta energy: -251.850
Dist. restrs. and SS energy: 7.594 (S_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: 442
Temperature: 0.950000
Total energy: -2703.186719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.186719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.685605 (E_RNA)
where:
Base-Base interactions energy: -1913.715
where: short stacking energy: -768.799
Base-Backbone interact. energy: -1.275
local terms energy: -794.695781
where:
bonds (distance) C4'-P energy: -137.498
bonds (distance) P-C4' energy: -139.983
flat angles C4'-P-C4' energy: -160.329
flat angles P-C4'-P energy: -112.714
tors. eta vs tors. theta energy: -244.172
Dist. restrs. and SS energy: 6.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2606.320694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.320694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.300087 (E_RNA)
where:
Base-Base interactions energy: -1850.431
where: short stacking energy: -761.951
Base-Backbone interact. energy: -0.702
local terms energy: -763.166578
where:
bonds (distance) C4'-P energy: -113.940
bonds (distance) P-C4' energy: -142.398
flat angles C4'-P-C4' energy: -152.593
flat angles P-C4'-P energy: -109.030
tors. eta vs tors. theta energy: -245.206
Dist. restrs. and SS energy: 7.979 (S_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: 442
Temperature: 1.050000
Total energy: -2592.109341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.109341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.646919 (E_RNA)
where:
Base-Base interactions energy: -1855.240
where: short stacking energy: -729.855
Base-Backbone interact. energy: -1.331
local terms energy: -743.076718
where:
bonds (distance) C4'-P energy: -124.516
bonds (distance) P-C4' energy: -126.576
flat angles C4'-P-C4' energy: -158.244
flat angles P-C4'-P energy: -101.839
tors. eta vs tors. theta energy: -231.901
Dist. restrs. and SS energy: 7.538 (S_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: 442
Temperature: 1.100000
Total energy: -2531.916906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.916906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.690021 (E_RNA)
where:
Base-Base interactions energy: -1799.811
where: short stacking energy: -737.224
Base-Backbone interact. energy: 0.383
local terms energy: -736.262053
where:
bonds (distance) C4'-P energy: -120.144
bonds (distance) P-C4' energy: -137.189
flat angles C4'-P-C4' energy: -144.514
flat angles P-C4'-P energy: -98.902
tors. eta vs tors. theta energy: -235.513
Dist. restrs. and SS energy: 3.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2417.054824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.054824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.979853 (E_RNA)
where:
Base-Base interactions energy: -1723.748
where: short stacking energy: -675.762
Base-Backbone interact. energy: -1.691
local terms energy: -695.541467
where:
bonds (distance) C4'-P energy: -108.884
bonds (distance) P-C4' energy: -114.021
flat angles C4'-P-C4' energy: -154.405
flat angles P-C4'-P energy: -102.428
tors. eta vs tors. theta energy: -215.804
Dist. restrs. and SS energy: 3.925 (S_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: -2367.918308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.918308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.085654 (E_RNA)
where:
Base-Base interactions energy: -1696.084
where: short stacking energy: -691.177
Base-Backbone interact. energy: 5.396
local terms energy: -681.397316
where:
bonds (distance) C4'-P energy: -112.671
bonds (distance) P-C4' energy: -118.461
flat angles C4'-P-C4' energy: -130.743
flat angles P-C4'-P energy: -98.476
tors. eta vs tors. theta energy: -221.046
Dist. restrs. and SS energy: 4.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -2299.031557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.031557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.779008 (E_RNA)
where:
Base-Base interactions energy: -1636.999
where: short stacking energy: -670.488
Base-Backbone interact. energy: -1.652
local terms energy: -670.127268
where:
bonds (distance) C4'-P energy: -92.094
bonds (distance) P-C4' energy: -115.348
flat angles C4'-P-C4' energy: -154.384
flat angles P-C4'-P energy: -92.217
tors. eta vs tors. theta energy: -216.084
Dist. restrs. and SS energy: 9.747 (S_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: 442
Temperature: 1.300000
Total energy: -2130.871444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.871444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.787119 (E_RNA)
where:
Base-Base interactions energy: -1530.255
where: short stacking energy: -612.282
Base-Backbone interact. energy: -2.483
local terms energy: -609.049359
where:
bonds (distance) C4'-P energy: -105.407
bonds (distance) P-C4' energy: -94.243
flat angles C4'-P-C4' energy: -136.363
flat angles P-C4'-P energy: -90.326
tors. eta vs tors. theta energy: -182.710
Dist. restrs. and SS energy: 10.916 (S_DIST_RNA)
chem. 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: -1996.768172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.768172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.003721 (E_RNA)
where:
Base-Base interactions energy: -1435.904
where: short stacking energy: -586.419
Base-Backbone interact. energy: -2.488
local terms energy: -576.611686
where:
bonds (distance) C4'-P energy: -69.555
bonds (distance) P-C4' energy: -110.073
flat angles C4'-P-C4' energy: -130.247
flat angles P-C4'-P energy: -99.250
tors. eta vs tors. theta energy: -167.486
Dist. restrs. and SS energy: 18.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2813.141342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.141342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.115224 (E_RNA)
where:
Base-Base interactions energy: -2010.794
where: short stacking energy: -810.004
Base-Backbone interact. energy: -2.944
local terms energy: -807.377156
where:
bonds (distance) C4'-P energy: -140.506
bonds (distance) P-C4' energy: -135.989
flat angles C4'-P-C4' energy: -164.615
flat angles P-C4'-P energy: -113.492
tors. eta vs tors. theta energy: -252.775
Dist. restrs. and SS energy: 7.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2735.551929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.551929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.180298 (E_RNA)
where:
Base-Base interactions energy: -1966.301
where: short stacking energy: -805.565
Base-Backbone interact. energy: -1.303
local terms energy: -774.576310
where:
bonds (distance) C4'-P energy: -136.607
bonds (distance) P-C4' energy: -121.181
flat angles C4'-P-C4' energy: -153.135
flat angles P-C4'-P energy: -107.991
tors. eta vs tors. theta energy: -255.663
Dist. restrs. and SS energy: 6.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2643.862449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.862449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.221545 (E_RNA)
where:
Base-Base interactions energy: -1868.469
where: short stacking energy: -763.188
Base-Backbone interact. energy: -3.633
local terms energy: -780.119368
where:
bonds (distance) C4'-P energy: -133.874
bonds (distance) P-C4' energy: -132.009
flat angles C4'-P-C4' energy: -160.580
flat angles P-C4'-P energy: -110.036
tors. eta vs tors. theta energy: -243.620
Dist. restrs. and SS energy: 8.359 (S_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: 443
Temperature: 1.050000
Total energy: -2558.997424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.997424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.783649 (E_RNA)
where:
Base-Base interactions energy: -1793.558
where: short stacking energy: -706.140
Base-Backbone interact. energy: -1.946
local terms energy: -766.279284
where:
bonds (distance) C4'-P energy: -137.167
bonds (distance) P-C4' energy: -141.857
flat angles C4'-P-C4' energy: -157.069
flat angles P-C4'-P energy: -102.827
tors. eta vs tors. theta energy: -227.359
Dist. restrs. and SS energy: 2.786 (S_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: 443
Temperature: 1.100000
Total energy: -2543.893413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.893413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.059784 (E_RNA)
where:
Base-Base interactions energy: -1831.111
where: short stacking energy: -740.726
Base-Backbone interact. energy: -1.624
local terms energy: -720.323879
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -120.217
flat angles C4'-P-C4' energy: -161.572
flat angles P-C4'-P energy: -98.598
tors. eta vs tors. theta energy: -219.022
Dist. restrs. and SS energy: 9.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2468.165936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.165936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.777202 (E_RNA)
where:
Base-Base interactions energy: -1741.644
where: short stacking energy: -702.470
Base-Backbone interact. energy: -3.165
local terms energy: -727.968694
where:
bonds (distance) C4'-P energy: -127.859
bonds (distance) P-C4' energy: -120.772
flat angles C4'-P-C4' energy: -148.376
flat angles P-C4'-P energy: -109.320
tors. eta vs tors. theta energy: -221.642
Dist. restrs. and SS energy: 4.611 (S_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: -2385.105999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.105999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.304865 (E_RNA)
where:
Base-Base interactions energy: -1728.259
where: short stacking energy: -694.983
Base-Backbone interact. energy: 0.569
local terms energy: -660.615121
where:
bonds (distance) C4'-P energy: -87.701
bonds (distance) P-C4' energy: -123.402
flat angles C4'-P-C4' energy: -128.972
flat angles P-C4'-P energy: -102.731
tors. eta vs tors. theta energy: -217.809
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2272.354198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.354198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.986534 (E_RNA)
where:
Base-Base interactions energy: -1608.602
where: short stacking energy: -652.771
Base-Backbone interact. energy: -1.344
local terms energy: -669.040901
where:
bonds (distance) C4'-P energy: -111.672
bonds (distance) P-C4' energy: -109.236
flat angles C4'-P-C4' energy: -143.037
flat angles P-C4'-P energy: -97.402
tors. eta vs tors. theta energy: -207.694
Dist. restrs. and SS energy: 6.632 (S_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: 443
Temperature: 1.300000
Total energy: -2172.494832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.494832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.477459 (E_RNA)
where:
Base-Base interactions energy: -1555.587
where: short stacking energy: -631.584
Base-Backbone interact. energy: -2.002
local terms energy: -625.888384
where:
bonds (distance) C4'-P energy: -124.670
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -122.299
flat angles P-C4'-P energy: -91.675
tors. eta vs tors. theta energy: -190.446
Dist. restrs. and SS energy: 10.983 (S_DIST_RNA)
chem. 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: -1955.013484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.013484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.348177 (E_RNA)
where:
Base-Base interactions energy: -1397.743
where: short stacking energy: -546.411
Base-Backbone interact. energy: -5.153
local terms energy: -571.452613
where:
bonds (distance) C4'-P energy: -97.430
bonds (distance) P-C4' energy: -95.825
flat angles C4'-P-C4' energy: -135.340
flat angles P-C4'-P energy: -83.228
tors. eta vs tors. theta energy: -159.630
Dist. restrs. and SS energy: 19.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2803.410887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.410887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.164950 (E_RNA)
where:
Base-Base interactions energy: -1994.655
where: short stacking energy: -804.428
Base-Backbone interact. energy: 4.255
local terms energy: -819.764746
where:
bonds (distance) C4'-P energy: -140.257
bonds (distance) P-C4' energy: -143.243
flat angles C4'-P-C4' energy: -156.579
flat angles P-C4'-P energy: -126.747
tors. eta vs tors. theta energy: -252.939
Dist. restrs. and SS energy: 6.754 (S_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: -2731.227871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.227871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.854857 (E_RNA)
where:
Base-Base interactions energy: -1924.484
where: short stacking energy: -804.824
Base-Backbone interact. energy: -4.195
local terms energy: -809.175983
where:
bonds (distance) C4'-P energy: -125.500
bonds (distance) P-C4' energy: -142.592
flat angles C4'-P-C4' energy: -159.856
flat angles P-C4'-P energy: -121.991
tors. eta vs tors. theta energy: -259.236
Dist. restrs. and SS energy: 6.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2621.006480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.006480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.021967 (E_RNA)
where:
Base-Base interactions energy: -1886.331
where: short stacking energy: -757.654
Base-Backbone interact. energy: 0.796
local terms energy: -742.486950
where:
bonds (distance) C4'-P energy: -125.973
bonds (distance) P-C4' energy: -123.224
flat angles C4'-P-C4' energy: -155.540
flat angles P-C4'-P energy: -106.866
tors. eta vs tors. theta energy: -230.885
Dist. restrs. and SS energy: 7.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2551.456123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.456123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.280267 (E_RNA)
where:
Base-Base interactions energy: -1805.436
where: short stacking energy: -735.464
Base-Backbone interact. energy: 1.072
local terms energy: -749.916868
where:
bonds (distance) C4'-P energy: -128.981
bonds (distance) P-C4' energy: -121.283
flat angles C4'-P-C4' energy: -149.859
flat angles P-C4'-P energy: -121.673
tors. eta vs tors. theta energy: -228.120
Dist. restrs. and SS energy: 2.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2509.606473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.606473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.845756 (E_RNA)
where:
Base-Base interactions energy: -1793.081
where: short stacking energy: -717.976
Base-Backbone interact. energy: -3.736
local terms energy: -719.028425
where:
bonds (distance) C4'-P energy: -133.005
bonds (distance) P-C4' energy: -111.691
flat angles C4'-P-C4' energy: -145.161
flat angles P-C4'-P energy: -104.762
tors. eta vs tors. theta energy: -224.410
Dist. restrs. and SS energy: 6.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2457.848497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.848497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.347281 (E_RNA)
where:
Base-Base interactions energy: -1781.475
where: short stacking energy: -711.925
Base-Backbone interact. energy: -1.085
local terms energy: -683.787362
where:
bonds (distance) C4'-P energy: -119.426
bonds (distance) P-C4' energy: -111.478
flat angles C4'-P-C4' energy: -133.664
flat angles P-C4'-P energy: -92.430
tors. eta vs tors. theta energy: -226.789
Dist. restrs. and SS energy: 8.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2405.944011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.944011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.976493 (E_RNA)
where:
Base-Base interactions energy: -1697.033
where: short stacking energy: -679.759
Base-Backbone interact. energy: -3.382
local terms energy: -708.561434
where:
bonds (distance) C4'-P energy: -133.442
bonds (distance) P-C4' energy: -119.899
flat angles C4'-P-C4' energy: -148.073
flat angles P-C4'-P energy: -84.253
tors. eta vs tors. theta energy: -222.894
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2302.984013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.984013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.847457 (E_RNA)
where:
Base-Base interactions energy: -1630.948
where: short stacking energy: -674.686
Base-Backbone interact. energy: -0.752
local terms energy: -678.147837
where:
bonds (distance) C4'-P energy: -102.040
bonds (distance) P-C4' energy: -112.877
flat angles C4'-P-C4' energy: -146.150
flat angles P-C4'-P energy: -101.732
tors. eta vs tors. theta energy: -215.349
Dist. restrs. and SS energy: 6.863 (S_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: 444
Temperature: 1.300000
Total energy: -2134.362545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.362545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.999080 (E_RNA)
where:
Base-Base interactions energy: -1498.506
where: short stacking energy: -595.790
Base-Backbone interact. energy: 5.408
local terms energy: -650.901543
where:
bonds (distance) C4'-P energy: -106.646
bonds (distance) P-C4' energy: -124.038
flat angles C4'-P-C4' energy: -143.562
flat angles P-C4'-P energy: -89.116
tors. eta vs tors. theta energy: -187.540
Dist. restrs. and SS energy: 9.637 (S_DIST_RNA)
chem. 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: -1959.092884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.092884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.724433 (E_RNA)
where:
Base-Base interactions energy: -1407.904
where: short stacking energy: -553.685
Base-Backbone interact. energy: -0.978
local terms energy: -568.842495
where:
bonds (distance) C4'-P energy: -115.316
bonds (distance) P-C4' energy: -89.471
flat angles C4'-P-C4' energy: -115.842
flat angles P-C4'-P energy: -81.767
tors. eta vs tors. theta energy: -166.446
Dist. restrs. and SS energy: 18.632 (S_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: 445
Temperature: 0.900000
Total energy: -2807.973971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.973971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.189092 (E_RNA)
where:
Base-Base interactions energy: -1988.166
where: short stacking energy: -822.546
Base-Backbone interact. energy: -5.119
local terms energy: -822.903972
where:
bonds (distance) C4'-P energy: -136.786
bonds (distance) P-C4' energy: -151.016
flat angles C4'-P-C4' energy: -161.526
flat angles P-C4'-P energy: -121.132
tors. eta vs tors. theta energy: -252.443
Dist. restrs. and SS energy: 8.215 (S_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: -2727.952418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.952418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.636950 (E_RNA)
where:
Base-Base interactions energy: -1963.418
where: short stacking energy: -799.936
Base-Backbone interact. energy: 0.211
local terms energy: -772.429651
where:
bonds (distance) C4'-P energy: -132.265
bonds (distance) P-C4' energy: -122.747
flat angles C4'-P-C4' energy: -152.510
flat angles P-C4'-P energy: -116.230
tors. eta vs tors. theta energy: -248.678
Dist. restrs. and SS energy: 7.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2633.982465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.982465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.677344 (E_RNA)
where:
Base-Base interactions energy: -1864.717
where: short stacking energy: -741.408
Base-Backbone interact. energy: -1.997
local terms energy: -774.962435
where:
bonds (distance) C4'-P energy: -145.036
bonds (distance) P-C4' energy: -123.731
flat angles C4'-P-C4' energy: -152.837
flat angles P-C4'-P energy: -111.069
tors. eta vs tors. theta energy: -242.290
Dist. restrs. and SS energy: 7.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2577.658906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.658906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.681504 (E_RNA)
where:
Base-Base interactions energy: -1813.488
where: short stacking energy: -726.062
Base-Backbone interact. energy: -5.210
local terms energy: -764.983106
where:
bonds (distance) C4'-P energy: -126.238
bonds (distance) P-C4' energy: -120.404
flat angles C4'-P-C4' energy: -166.511
flat angles P-C4'-P energy: -120.480
tors. eta vs tors. theta energy: -231.350
Dist. restrs. and SS energy: 6.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2518.871010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.871010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.373784 (E_RNA)
where:
Base-Base interactions energy: -1797.860
where: short stacking energy: -744.449
Base-Backbone interact. energy: -1.196
local terms energy: -722.317043
where:
bonds (distance) C4'-P energy: -114.019
bonds (distance) P-C4' energy: -119.890
flat angles C4'-P-C4' energy: -154.547
flat angles P-C4'-P energy: -106.340
tors. eta vs tors. theta energy: -227.520
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2441.527901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.527901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.951347 (E_RNA)
where:
Base-Base interactions energy: -1753.066
where: short stacking energy: -718.178
Base-Backbone interact. energy: -1.465
local terms energy: -696.420074
where:
bonds (distance) C4'-P energy: -110.706
bonds (distance) P-C4' energy: -127.909
flat angles C4'-P-C4' energy: -146.584
flat angles P-C4'-P energy: -95.439
tors. eta vs tors. theta energy: -215.782
Dist. restrs. and SS energy: 9.423 (S_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: -2349.815196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.815196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.546625 (E_RNA)
where:
Base-Base interactions energy: -1658.617
where: short stacking energy: -667.411
Base-Backbone interact. energy: 6.125
local terms energy: -700.054798
where:
bonds (distance) C4'-P energy: -100.033
bonds (distance) P-C4' energy: -136.618
flat angles C4'-P-C4' energy: -149.106
flat angles P-C4'-P energy: -96.810
tors. eta vs tors. theta energy: -217.488
Dist. restrs. and SS energy: 2.731 (S_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: 445
Temperature: 1.250000
Total energy: -2283.592016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.592016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.885926 (E_RNA)
where:
Base-Base interactions energy: -1626.547
where: short stacking energy: -663.362
Base-Backbone interact. energy: -1.234
local terms energy: -663.104823
where:
bonds (distance) C4'-P energy: -107.856
bonds (distance) P-C4' energy: -102.624
flat angles C4'-P-C4' energy: -142.091
flat angles P-C4'-P energy: -105.012
tors. eta vs tors. theta energy: -205.521
Dist. restrs. and SS energy: 7.294 (S_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: 445
Temperature: 1.300000
Total energy: -2145.193663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.193663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.227956 (E_RNA)
where:
Base-Base interactions energy: -1531.925
where: short stacking energy: -604.030
Base-Backbone interact. energy: -2.054
local terms energy: -620.248750
where:
bonds (distance) C4'-P energy: -102.831
bonds (distance) P-C4' energy: -134.704
flat angles C4'-P-C4' energy: -124.127
flat angles P-C4'-P energy: -88.674
tors. eta vs tors. theta energy: -169.912
Dist. restrs. and SS energy: 9.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1964.856776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.856776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.057695 (E_RNA)
where:
Base-Base interactions energy: -1397.683
where: short stacking energy: -579.307
Base-Backbone interact. energy: -3.407
local terms energy: -580.967674
where:
bonds (distance) C4'-P energy: -99.552
bonds (distance) P-C4' energy: -112.166
flat angles C4'-P-C4' energy: -126.302
flat angles P-C4'-P energy: -82.204
tors. eta vs tors. theta energy: -160.743
Dist. restrs. and SS energy: 17.201 (S_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: 446
Temperature: 0.900000
Total energy: -2828.383002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.383002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.884950 (E_RNA)
where:
Base-Base interactions energy: -1997.994
where: short stacking energy: -808.004
Base-Backbone interact. energy: -3.209
local terms energy: -834.682483
where:
bonds (distance) C4'-P energy: -144.566
bonds (distance) P-C4' energy: -138.833
flat angles C4'-P-C4' energy: -174.815
flat angles P-C4'-P energy: -123.168
tors. eta vs tors. theta energy: -253.301
Dist. restrs. and SS energy: 7.502 (S_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: -2698.753883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.753883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.285088 (E_RNA)
where:
Base-Base interactions energy: -1909.861
where: short stacking energy: -788.554
Base-Backbone interact. energy: -2.141
local terms energy: -793.283194
where:
bonds (distance) C4'-P energy: -137.810
bonds (distance) P-C4' energy: -130.163
flat angles C4'-P-C4' energy: -159.271
flat angles P-C4'-P energy: -111.283
tors. eta vs tors. theta energy: -254.757
Dist. restrs. and SS energy: 6.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2633.507615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.507615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.659197 (E_RNA)
where:
Base-Base interactions energy: -1875.023
where: short stacking energy: -787.009
Base-Backbone interact. energy: 1.222
local terms energy: -767.857755
where:
bonds (distance) C4'-P energy: -122.350
bonds (distance) P-C4' energy: -139.969
flat angles C4'-P-C4' energy: -159.617
flat angles P-C4'-P energy: -102.719
tors. eta vs tors. theta energy: -243.202
Dist. restrs. and SS energy: 8.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2550.787874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.787874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.587625 (E_RNA)
where:
Base-Base interactions energy: -1827.244
where: short stacking energy: -744.856
Base-Backbone interact. energy: -2.773
local terms energy: -727.570212
where:
bonds (distance) C4'-P energy: -115.714
bonds (distance) P-C4' energy: -147.551
flat angles C4'-P-C4' energy: -137.343
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -227.073
Dist. restrs. and SS energy: 6.800 (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: 446
Temperature: 1.100000
Total energy: -2508.784179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.784179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.785091 (E_RNA)
where:
Base-Base interactions energy: -1778.607
where: short stacking energy: -723.448
Base-Backbone interact. energy: -1.238
local terms energy: -733.940126
where:
bonds (distance) C4'-P energy: -133.623
bonds (distance) P-C4' energy: -136.553
flat angles C4'-P-C4' energy: -152.185
flat angles P-C4'-P energy: -91.459
tors. eta vs tors. theta energy: -220.120
Dist. restrs. and SS energy: 5.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2478.537078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.537078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.408902 (E_RNA)
where:
Base-Base interactions energy: -1758.132
where: short stacking energy: -700.842
Base-Backbone interact. energy: -4.965
local terms energy: -729.311756
where:
bonds (distance) C4'-P energy: -109.397
bonds (distance) P-C4' energy: -130.853
flat angles C4'-P-C4' energy: -154.798
flat angles P-C4'-P energy: -112.030
tors. eta vs tors. theta energy: -222.233
Dist. restrs. and SS energy: 13.872 (S_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: -2327.976096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.976096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.883652 (E_RNA)
where:
Base-Base interactions energy: -1648.280
where: short stacking energy: -666.100
Base-Backbone interact. energy: 1.576
local terms energy: -686.179940
where:
bonds (distance) C4'-P energy: -120.730
bonds (distance) P-C4' energy: -108.578
flat angles C4'-P-C4' energy: -166.917
flat angles P-C4'-P energy: -92.780
tors. eta vs tors. theta energy: -197.175
Dist. restrs. and SS energy: 4.908 (S_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: 446
Temperature: 1.250000
Total energy: -2271.311940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.311940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.311939 (E_RNA)
where:
Base-Base interactions energy: -1615.003
where: short stacking energy: -645.788
Base-Backbone interact. energy: -0.575
local terms energy: -663.734167
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -117.157
flat angles C4'-P-C4' energy: -131.386
flat angles P-C4'-P energy: -95.819
tors. eta vs tors. theta energy: -213.320
Dist. restrs. and SS energy: 8.000 (S_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: 446
Temperature: 1.300000
Total energy: -2150.446784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.446784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.404622 (E_RNA)
where:
Base-Base interactions energy: -1544.936
where: short stacking energy: -623.294
Base-Backbone interact. energy: -2.077
local terms energy: -611.392135
where:
bonds (distance) C4'-P energy: -98.851
bonds (distance) P-C4' energy: -111.450
flat angles C4'-P-C4' energy: -143.647
flat angles P-C4'-P energy: -74.650
tors. eta vs tors. theta energy: -182.794
Dist. restrs. and SS energy: 7.958 (S_DIST_RNA)
chem. 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: -1991.185166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.185166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.750288 (E_RNA)
where:
Base-Base interactions energy: -1432.191
where: short stacking energy: -573.597
Base-Backbone interact. energy: -2.729
local terms energy: -571.830905
where:
bonds (distance) C4'-P energy: -99.989
bonds (distance) P-C4' energy: -117.281
flat angles C4'-P-C4' energy: -127.659
flat angles P-C4'-P energy: -73.384
tors. eta vs tors. theta energy: -153.519
Dist. restrs. and SS energy: 15.565 (S_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: 447
Temperature: 0.900000
Total energy: -2787.948278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.948278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.608491 (E_RNA)
where:
Base-Base interactions energy: -1986.595
where: short stacking energy: -815.481
Base-Backbone interact. energy: -1.604
local terms energy: -806.409457
where:
bonds (distance) C4'-P energy: -136.501
bonds (distance) P-C4' energy: -137.433
flat angles C4'-P-C4' energy: -162.672
flat angles P-C4'-P energy: -117.387
tors. eta vs tors. theta energy: -252.417
Dist. restrs. and SS energy: 6.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2729.561203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.561203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.029532 (E_RNA)
where:
Base-Base interactions energy: -1926.959
where: short stacking energy: -774.911
Base-Backbone interact. energy: -3.456
local terms energy: -803.614993
where:
bonds (distance) C4'-P energy: -135.222
bonds (distance) P-C4' energy: -145.271
flat angles C4'-P-C4' energy: -158.433
flat angles P-C4'-P energy: -113.930
tors. eta vs tors. theta energy: -250.758
Dist. restrs. and SS energy: 4.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2602.369720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.369720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.522350 (E_RNA)
where:
Base-Base interactions energy: -1856.754
where: short stacking energy: -765.934
Base-Backbone interact. energy: -1.699
local terms energy: -754.069306
where:
bonds (distance) C4'-P energy: -118.014
bonds (distance) P-C4' energy: -139.529
flat angles C4'-P-C4' energy: -156.640
flat angles P-C4'-P energy: -109.078
tors. eta vs tors. theta energy: -230.809
Dist. restrs. and SS energy: 10.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2591.577522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.577522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.990839 (E_RNA)
where:
Base-Base interactions energy: -1835.249
where: short stacking energy: -754.362
Base-Backbone interact. energy: -3.614
local terms energy: -760.127877
where:
bonds (distance) C4'-P energy: -124.561
bonds (distance) P-C4' energy: -147.762
flat angles C4'-P-C4' energy: -153.488
flat angles P-C4'-P energy: -106.613
tors. eta vs tors. theta energy: -227.704
Dist. restrs. and SS energy: 7.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2571.070326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.070326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.673923 (E_RNA)
where:
Base-Base interactions energy: -1829.050
where: short stacking energy: -757.476
Base-Backbone interact. energy: -0.825
local terms energy: -744.799032
where:
bonds (distance) C4'-P energy: -129.179
bonds (distance) P-C4' energy: -116.469
flat angles C4'-P-C4' energy: -147.828
flat angles P-C4'-P energy: -114.349
tors. eta vs tors. theta energy: -236.974
Dist. restrs. and SS energy: 3.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2434.207142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.207142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.074306 (E_RNA)
where:
Base-Base interactions energy: -1752.598
where: short stacking energy: -705.056
Base-Backbone interact. energy: 2.702
local terms energy: -694.177798
where:
bonds (distance) C4'-P energy: -122.601
bonds (distance) P-C4' energy: -121.640
flat angles C4'-P-C4' energy: -146.446
flat angles P-C4'-P energy: -100.879
tors. eta vs tors. theta energy: -202.612
Dist. restrs. and SS energy: 9.867 (S_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: -2364.640958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.640958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.957977 (E_RNA)
where:
Base-Base interactions energy: -1661.081
where: short stacking energy: -663.334
Base-Backbone interact. energy: -1.816
local terms energy: -704.060584
where:
bonds (distance) C4'-P energy: -107.232
bonds (distance) P-C4' energy: -123.049
flat angles C4'-P-C4' energy: -152.420
flat angles P-C4'-P energy: -110.165
tors. eta vs tors. theta energy: -211.194
Dist. restrs. and SS energy: 2.317 (S_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: 447
Temperature: 1.250000
Total energy: -2258.730988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.730988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.182810 (E_RNA)
where:
Base-Base interactions energy: -1607.712
where: short stacking energy: -630.412
Base-Backbone interact. energy: -1.881
local terms energy: -660.590208
where:
bonds (distance) C4'-P energy: -115.147
bonds (distance) P-C4' energy: -120.404
flat angles C4'-P-C4' energy: -125.126
flat angles P-C4'-P energy: -97.057
tors. eta vs tors. theta energy: -202.856
Dist. restrs. and SS energy: 11.452 (S_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: 447
Temperature: 1.300000
Total energy: -2191.974101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.974101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.056228 (E_RNA)
where:
Base-Base interactions energy: -1570.198
where: short stacking energy: -609.784
Base-Backbone interact. energy: 7.244
local terms energy: -637.102547
where:
bonds (distance) C4'-P energy: -108.057
bonds (distance) P-C4' energy: -123.817
flat angles C4'-P-C4' energy: -128.740
flat angles P-C4'-P energy: -95.080
tors. eta vs tors. theta energy: -181.407
Dist. restrs. and SS energy: 8.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -2079.917211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.917211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.352971 (E_RNA)
where:
Base-Base interactions energy: -1482.502
where: short stacking energy: -601.675
Base-Backbone interact. energy: -0.150
local terms energy: -612.701097
where:
bonds (distance) C4'-P energy: -89.703
bonds (distance) P-C4' energy: -111.306
flat angles C4'-P-C4' energy: -135.762
flat angles P-C4'-P energy: -98.850
tors. eta vs tors. theta energy: -177.081
Dist. restrs. and SS energy: 15.436 (S_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: 448
Temperature: 0.900000
Total energy: -2808.864994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.864994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.349603 (E_RNA)
where:
Base-Base interactions energy: -2023.076
where: short stacking energy: -829.194
Base-Backbone interact. energy: -2.484
local terms energy: -791.789203
where:
bonds (distance) C4'-P energy: -120.025
bonds (distance) P-C4' energy: -141.877
flat angles C4'-P-C4' energy: -166.164
flat angles P-C4'-P energy: -110.551
tors. eta vs tors. theta energy: -253.172
Dist. restrs. and SS energy: 8.485 (S_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: 448
Temperature: 0.950000
Total energy: -2742.374264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.374264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.686555 (E_RNA)
where:
Base-Base interactions energy: -1920.578
where: short stacking energy: -796.472
Base-Backbone interact. energy: -3.148
local terms energy: -823.960075
where:
bonds (distance) C4'-P energy: -142.074
bonds (distance) P-C4' energy: -144.531
flat angles C4'-P-C4' energy: -171.226
flat angles P-C4'-P energy: -118.578
tors. eta vs tors. theta energy: -247.551
Dist. restrs. and SS energy: 5.312 (S_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: 448
Temperature: 1.000000
Total energy: -2625.726068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.726068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.105909 (E_RNA)
where:
Base-Base interactions energy: -1877.239
where: short stacking energy: -779.550
Base-Backbone interact. energy: -0.767
local terms energy: -754.099969
where:
bonds (distance) C4'-P energy: -115.476
bonds (distance) P-C4' energy: -129.808
flat angles C4'-P-C4' energy: -164.227
flat angles P-C4'-P energy: -107.961
tors. eta vs tors. theta energy: -236.628
Dist. restrs. and SS energy: 6.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2541.391528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.391528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.435584 (E_RNA)
where:
Base-Base interactions energy: -1817.379
where: short stacking energy: -739.702
Base-Backbone interact. energy: -2.312
local terms energy: -730.743765
where:
bonds (distance) C4'-P energy: -120.374
bonds (distance) P-C4' energy: -125.891
flat angles C4'-P-C4' energy: -152.913
flat angles P-C4'-P energy: -98.023
tors. eta vs tors. theta energy: -233.542
Dist. restrs. and SS energy: 9.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2521.284224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.284224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.473634 (E_RNA)
where:
Base-Base interactions energy: -1783.246
where: short stacking energy: -732.886
Base-Backbone interact. energy: -1.465
local terms energy: -740.762788
where:
bonds (distance) C4'-P energy: -124.276
bonds (distance) P-C4' energy: -126.873
flat angles C4'-P-C4' energy: -148.947
flat angles P-C4'-P energy: -103.648
tors. eta vs tors. theta energy: -237.018
Dist. restrs. and SS energy: 4.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2394.232499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.232499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.883164 (E_RNA)
where:
Base-Base interactions energy: -1726.293
where: short stacking energy: -700.270
Base-Backbone interact. energy: -2.582
local terms energy: -674.007431
where:
bonds (distance) C4'-P energy: -110.963
bonds (distance) P-C4' energy: -103.028
flat angles C4'-P-C4' energy: -146.611
flat angles P-C4'-P energy: -101.516
tors. eta vs tors. theta energy: -211.889
Dist. restrs. and SS energy: 8.651 (S_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: -2420.442243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.442243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.788193 (E_RNA)
where:
Base-Base interactions energy: -1681.450
where: short stacking energy: -697.322
Base-Backbone interact. energy: -2.486
local terms energy: -741.852258
where:
bonds (distance) C4'-P energy: -121.265
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -153.697
flat angles P-C4'-P energy: -114.591
tors. eta vs tors. theta energy: -225.055
Dist. restrs. and SS energy: 5.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -2259.414524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.414524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.303908 (E_RNA)
where:
Base-Base interactions energy: -1600.469
where: short stacking energy: -658.150
Base-Backbone interact. energy: -2.063
local terms energy: -662.771295
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -134.039
flat angles C4'-P-C4' energy: -137.800
flat angles P-C4'-P energy: -91.401
tors. eta vs tors. theta energy: -196.589
Dist. restrs. and SS energy: 5.889 (S_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: 448
Temperature: 1.300000
Total energy: -2170.182865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.182865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.764025 (E_RNA)
where:
Base-Base interactions energy: -1564.159
where: short stacking energy: -627.822
Base-Backbone interact. energy: -3.277
local terms energy: -616.328195
where:
bonds (distance) C4'-P energy: -93.030
bonds (distance) P-C4' energy: -121.477
flat angles C4'-P-C4' energy: -128.188
flat angles P-C4'-P energy: -79.439
tors. eta vs tors. theta energy: -194.195
Dist. restrs. and SS energy: 13.581 (S_DIST_RNA)
chem. 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: -2043.945396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.945396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.026828 (E_RNA)
where:
Base-Base interactions energy: -1475.675
where: short stacking energy: -581.580
Base-Backbone interact. energy: -0.117
local terms energy: -584.234188
where:
bonds (distance) C4'-P energy: -100.582
bonds (distance) P-C4' energy: -104.950
flat angles C4'-P-C4' energy: -136.604
flat angles P-C4'-P energy: -60.392
tors. eta vs tors. theta energy: -181.706
Dist. restrs. and SS energy: 16.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2815.858166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.858166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.901008 (E_RNA)
where:
Base-Base interactions energy: -2008.524
where: short stacking energy: -807.819
Base-Backbone interact. energy: -2.327
local terms energy: -812.049846
where:
bonds (distance) C4'-P energy: -141.948
bonds (distance) P-C4' energy: -137.857
flat angles C4'-P-C4' energy: -154.601
flat angles P-C4'-P energy: -124.315
tors. eta vs tors. theta energy: -253.327
Dist. restrs. and SS energy: 7.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2726.576078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.576078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.004602 (E_RNA)
where:
Base-Base interactions energy: -1929.279
where: short stacking energy: -792.763
Base-Backbone interact. energy: -1.134
local terms energy: -802.591577
where:
bonds (distance) C4'-P energy: -130.335
bonds (distance) P-C4' energy: -147.378
flat angles C4'-P-C4' energy: -165.836
flat angles P-C4'-P energy: -111.268
tors. eta vs tors. theta energy: -247.774
Dist. restrs. and SS energy: 6.429 (S_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: 449
Temperature: 1.000000
Total energy: -2588.087171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.087171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.792570 (E_RNA)
where:
Base-Base interactions energy: -1844.750
where: short stacking energy: -760.240
Base-Backbone interact. energy: -2.056
local terms energy: -749.986417
where:
bonds (distance) C4'-P energy: -121.922
bonds (distance) P-C4' energy: -144.145
flat angles C4'-P-C4' energy: -160.566
flat angles P-C4'-P energy: -94.912
tors. eta vs tors. theta energy: -228.441
Dist. restrs. and SS energy: 8.705 (S_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: 449
Temperature: 1.050000
Total energy: -2597.360780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.360780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.198848 (E_RNA)
where:
Base-Base interactions energy: -1844.770
where: short stacking energy: -773.342
Base-Backbone interact. energy: -0.735
local terms energy: -755.694308
where:
bonds (distance) C4'-P energy: -134.488
bonds (distance) P-C4' energy: -121.235
flat angles C4'-P-C4' energy: -168.208
flat angles P-C4'-P energy: -90.700
tors. eta vs tors. theta energy: -241.062
Dist. restrs. and SS energy: 3.838 (S_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: 449
Temperature: 1.100000
Total energy: -2478.203866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.203866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.496333 (E_RNA)
where:
Base-Base interactions energy: -1749.820
where: short stacking energy: -716.620
Base-Backbone interact. energy: -3.099
local terms energy: -733.577349
where:
bonds (distance) C4'-P energy: -122.715
bonds (distance) P-C4' energy: -130.772
flat angles C4'-P-C4' energy: -155.119
flat angles P-C4'-P energy: -100.062
tors. eta vs tors. theta energy: -224.910
Dist. restrs. and SS energy: 8.292 (S_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: 449
Temperature: 1.150000
Total energy: -2458.140474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.140474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.178642 (E_RNA)
where:
Base-Base interactions energy: -1749.053
where: short stacking energy: -732.351
Base-Backbone interact. energy: -3.840
local terms energy: -707.285386
where:
bonds (distance) C4'-P energy: -97.348
bonds (distance) P-C4' energy: -123.336
flat angles C4'-P-C4' energy: -147.648
flat angles P-C4'-P energy: -99.351
tors. eta vs tors. theta energy: -239.602
Dist. restrs. and SS energy: 2.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2362.052539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.052539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.954884 (E_RNA)
where:
Base-Base interactions energy: -1708.277
where: short stacking energy: -682.568
Base-Backbone interact. energy: -2.378
local terms energy: -660.299620
where:
bonds (distance) C4'-P energy: -109.819
bonds (distance) P-C4' energy: -109.250
flat angles C4'-P-C4' energy: -136.014
flat angles P-C4'-P energy: -92.624
tors. eta vs tors. theta energy: -212.592
Dist. restrs. and SS energy: 8.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2251.707279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.707279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.545586 (E_RNA)
where:
Base-Base interactions energy: -1602.358
where: short stacking energy: -644.650
Base-Backbone interact. energy: 0.244
local terms energy: -667.430922
where:
bonds (distance) C4'-P energy: -109.863
bonds (distance) P-C4' energy: -113.490
flat angles C4'-P-C4' energy: -148.824
flat angles P-C4'-P energy: -93.027
tors. eta vs tors. theta energy: -202.226
Dist. restrs. and SS energy: 17.838 (S_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: 449
Temperature: 1.300000
Total energy: -2218.159768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.159768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.279194 (E_RNA)
where:
Base-Base interactions energy: -1587.515
where: short stacking energy: -644.669
Base-Backbone interact. energy: 1.207
local terms energy: -639.971239
where:
bonds (distance) C4'-P energy: -116.460
bonds (distance) P-C4' energy: -110.518
flat angles C4'-P-C4' energy: -125.399
flat angles P-C4'-P energy: -84.007
tors. eta vs tors. theta energy: -203.587
Dist. restrs. and SS energy: 8.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -2013.458952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.458952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.301245 (E_RNA)
where:
Base-Base interactions energy: -1463.952
where: short stacking energy: -566.570
Base-Backbone interact. energy: 1.393
local terms energy: -566.741879
where:
bonds (distance) C4'-P energy: -105.283
bonds (distance) P-C4' energy: -82.663
flat angles C4'-P-C4' energy: -134.841
flat angles P-C4'-P energy: -84.861
tors. eta vs tors. theta energy: -159.094
Dist. restrs. and SS energy: 15.842 (S_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: 450
Temperature: 0.900000
Total energy: -2815.474804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.474804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.341778 (E_RNA)
where:
Base-Base interactions energy: -1988.539
where: short stacking energy: -782.292
Base-Backbone interact. energy: -3.692
local terms energy: -830.110942
where:
bonds (distance) C4'-P energy: -146.563
bonds (distance) P-C4' energy: -139.865
flat angles C4'-P-C4' energy: -173.644
flat angles P-C4'-P energy: -118.085
tors. eta vs tors. theta energy: -251.953
Dist. restrs. and SS energy: 6.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2750.597180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.597180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.645374 (E_RNA)
where:
Base-Base interactions energy: -1960.922
where: short stacking energy: -812.737
Base-Backbone interact. energy: -3.189
local terms energy: -793.534141
where:
bonds (distance) C4'-P energy: -123.511
bonds (distance) P-C4' energy: -132.045
flat angles C4'-P-C4' energy: -161.461
flat angles P-C4'-P energy: -124.961
tors. eta vs tors. theta energy: -251.556
Dist. restrs. and SS energy: 7.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2676.359748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.359748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.447836 (E_RNA)
where:
Base-Base interactions energy: -1907.731
where: short stacking energy: -787.668
Base-Backbone interact. energy: -1.798
local terms energy: -769.918530
where:
bonds (distance) C4'-P energy: -125.776
bonds (distance) P-C4' energy: -122.967
flat angles C4'-P-C4' energy: -163.109
flat angles P-C4'-P energy: -106.619
tors. eta vs tors. theta energy: -251.448
Dist. restrs. and SS energy: 3.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2567.304575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.304575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.749322 (E_RNA)
where:
Base-Base interactions energy: -1846.833
where: short stacking energy: -760.423
Base-Backbone interact. energy: -3.188
local terms energy: -724.728053
where:
bonds (distance) C4'-P energy: -117.368
bonds (distance) P-C4' energy: -121.667
flat angles C4'-P-C4' energy: -162.330
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -226.937
Dist. restrs. and SS energy: 7.445 (S_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: 450
Temperature: 1.100000
Total energy: -2509.349008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.349008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.002233 (E_RNA)
where:
Base-Base interactions energy: -1779.258
where: short stacking energy: -718.251
Base-Backbone interact. energy: 3.779
local terms energy: -743.522585
where:
bonds (distance) C4'-P energy: -122.148
bonds (distance) P-C4' energy: -130.003
flat angles C4'-P-C4' energy: -148.294
flat angles P-C4'-P energy: -104.261
tors. eta vs tors. theta energy: -238.817
Dist. restrs. and SS energy: 9.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2436.902720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.902720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.075786 (E_RNA)
where:
Base-Base interactions energy: -1729.186
where: short stacking energy: -711.109
Base-Backbone interact. energy: -0.924
local terms energy: -713.965932
where:
bonds (distance) C4'-P energy: -118.703
bonds (distance) P-C4' energy: -108.590
flat angles C4'-P-C4' energy: -147.834
flat angles P-C4'-P energy: -107.249
tors. eta vs tors. theta energy: -231.590
Dist. restrs. and SS energy: 7.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2331.125631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.125631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.493296 (E_RNA)
where:
Base-Base interactions energy: -1676.207
where: short stacking energy: -674.338
Base-Backbone interact. energy: -1.347
local terms energy: -663.939227
where:
bonds (distance) C4'-P energy: -134.958
bonds (distance) P-C4' energy: -105.671
flat angles C4'-P-C4' energy: -138.305
flat angles P-C4'-P energy: -77.457
tors. eta vs tors. theta energy: -207.549
Dist. restrs. and SS energy: 10.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2291.035332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.035332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.072373 (E_RNA)
where:
Base-Base interactions energy: -1664.863
where: short stacking energy: -673.267
Base-Backbone interact. energy: 1.502
local terms energy: -636.710923
where:
bonds (distance) C4'-P energy: -118.650
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -136.353
flat angles P-C4'-P energy: -77.232
tors. eta vs tors. theta energy: -201.821
Dist. restrs. and SS energy: 9.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -2241.981242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.981242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.259672 (E_RNA)
where:
Base-Base interactions energy: -1608.692
where: short stacking energy: -656.552
Base-Backbone interact. energy: 4.610
local terms energy: -644.178040
where:
bonds (distance) C4'-P energy: -96.482
bonds (distance) P-C4' energy: -103.748
flat angles C4'-P-C4' energy: -148.954
flat angles P-C4'-P energy: -90.376
tors. eta vs tors. theta energy: -204.618
Dist. restrs. and SS energy: 6.278 (S_DIST_RNA)
chem. 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: -2017.427013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.427013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.009518 (E_RNA)
where:
Base-Base interactions energy: -1422.249
where: short stacking energy: -559.206
Base-Backbone interact. energy: 3.111
local terms energy: -616.870881
where:
bonds (distance) C4'-P energy: -123.446
bonds (distance) P-C4' energy: -125.186
flat angles C4'-P-C4' energy: -111.337
flat angles P-C4'-P energy: -76.541
tors. eta vs tors. theta energy: -180.361
Dist. restrs. and SS energy: 18.583 (S_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: 451
Temperature: 0.900000
Total energy: -2814.222812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.222812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.674981 (E_RNA)
where:
Base-Base interactions energy: -2015.790
where: short stacking energy: -808.632
Base-Backbone interact. energy: -2.873
local terms energy: -802.011910
where:
bonds (distance) C4'-P energy: -130.123
bonds (distance) P-C4' energy: -150.745
flat angles C4'-P-C4' energy: -163.983
flat angles P-C4'-P energy: -111.749
tors. eta vs tors. theta energy: -245.412
Dist. restrs. and SS energy: 6.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2691.437933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.437933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.321002 (E_RNA)
where:
Base-Base interactions energy: -1888.148
where: short stacking energy: -808.941
Base-Backbone interact. energy: -1.162
local terms energy: -806.011350
where:
bonds (distance) C4'-P energy: -129.827
bonds (distance) P-C4' energy: -139.412
flat angles C4'-P-C4' energy: -164.080
flat angles P-C4'-P energy: -124.516
tors. eta vs tors. theta energy: -248.176
Dist. restrs. and SS energy: 3.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2678.141767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.141767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.993618 (E_RNA)
where:
Base-Base interactions energy: -1886.544
where: short stacking energy: -759.910
Base-Backbone interact. energy: -1.502
local terms energy: -798.947319
where:
bonds (distance) C4'-P energy: -146.325
bonds (distance) P-C4' energy: -136.635
flat angles C4'-P-C4' energy: -152.714
flat angles P-C4'-P energy: -121.185
tors. eta vs tors. theta energy: -242.089
Dist. restrs. and SS energy: 8.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2571.856579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.856579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.213477 (E_RNA)
where:
Base-Base interactions energy: -1832.011
where: short stacking energy: -756.387
Base-Backbone interact. energy: -1.586
local terms energy: -745.616718
where:
bonds (distance) C4'-P energy: -120.751
bonds (distance) P-C4' energy: -129.155
flat angles C4'-P-C4' energy: -143.965
flat angles P-C4'-P energy: -104.005
tors. eta vs tors. theta energy: -247.740
Dist. restrs. and SS energy: 7.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2522.239067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.239067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.277605 (E_RNA)
where:
Base-Base interactions energy: -1808.036
where: short stacking energy: -735.812
Base-Backbone interact. energy: -0.533
local terms energy: -722.708692
where:
bonds (distance) C4'-P energy: -125.365
bonds (distance) P-C4' energy: -118.291
flat angles C4'-P-C4' energy: -146.805
flat angles P-C4'-P energy: -106.258
tors. eta vs tors. theta energy: -225.990
Dist. restrs. and SS energy: 9.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2428.433877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.433877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.419323 (E_RNA)
where:
Base-Base interactions energy: -1734.933
where: short stacking energy: -694.132
Base-Backbone interact. energy: -3.187
local terms energy: -693.299181
where:
bonds (distance) C4'-P energy: -118.009
bonds (distance) P-C4' energy: -125.689
flat angles C4'-P-C4' energy: -147.606
flat angles P-C4'-P energy: -82.822
tors. eta vs tors. theta energy: -219.173
Dist. restrs. and SS energy: 2.985 (S_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: 451
Temperature: 1.200000
Total energy: -2346.804864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.804864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.065219 (E_RNA)
where:
Base-Base interactions energy: -1684.173
where: short stacking energy: -671.076
Base-Backbone interact. energy: 1.186
local terms energy: -674.078408
where:
bonds (distance) C4'-P energy: -115.470
bonds (distance) P-C4' energy: -124.691
flat angles C4'-P-C4' energy: -138.990
flat angles P-C4'-P energy: -90.319
tors. eta vs tors. theta energy: -204.608
Dist. restrs. and SS energy: 10.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -2258.861756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.861756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.611776 (E_RNA)
where:
Base-Base interactions energy: -1635.073
where: short stacking energy: -647.919
Base-Backbone interact. energy: 0.302
local terms energy: -633.841444
where:
bonds (distance) C4'-P energy: -95.304
bonds (distance) P-C4' energy: -118.904
flat angles C4'-P-C4' energy: -139.410
flat angles P-C4'-P energy: -76.296
tors. eta vs tors. theta energy: -203.928
Dist. restrs. and SS energy: 9.750 (S_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: 451
Temperature: 1.300000
Total energy: -2287.358816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.358816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.510406 (E_RNA)
where:
Base-Base interactions energy: -1626.711
where: short stacking energy: -691.267
Base-Backbone interact. energy: -1.134
local terms energy: -675.665023
where:
bonds (distance) C4'-P energy: -116.934
bonds (distance) P-C4' energy: -98.425
flat angles C4'-P-C4' energy: -146.855
flat angles P-C4'-P energy: -86.827
tors. eta vs tors. theta energy: -226.624
Dist. restrs. and SS energy: 16.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -2005.028002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.028002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.771608 (E_RNA)
where:
Base-Base interactions energy: -1445.545
where: short stacking energy: -552.826
Base-Backbone interact. energy: -0.101
local terms energy: -577.126163
where:
bonds (distance) C4'-P energy: -111.005
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -117.585
flat angles P-C4'-P energy: -88.272
tors. eta vs tors. theta energy: -170.024
Dist. restrs. and SS energy: 17.744 (S_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: 452
Temperature: 0.900000
Total energy: -2800.314168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.314168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.680994 (E_RNA)
where:
Base-Base interactions energy: -2014.389
where: short stacking energy: -811.185
Base-Backbone interact. energy: -1.993
local terms energy: -789.299501
where:
bonds (distance) C4'-P energy: -141.957
bonds (distance) P-C4' energy: -145.538
flat angles C4'-P-C4' energy: -151.533
flat angles P-C4'-P energy: -106.546
tors. eta vs tors. theta energy: -243.725
Dist. restrs. and SS energy: 5.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2714.265413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.265413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.903756 (E_RNA)
where:
Base-Base interactions energy: -1901.196
where: short stacking energy: -790.210
Base-Backbone interact. energy: -1.855
local terms energy: -814.852936
where:
bonds (distance) C4'-P energy: -143.927
bonds (distance) P-C4' energy: -147.484
flat angles C4'-P-C4' energy: -168.227
flat angles P-C4'-P energy: -108.152
tors. eta vs tors. theta energy: -247.063
Dist. restrs. and SS energy: 3.638 (S_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: 452
Temperature: 1.000000
Total energy: -2676.898576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.898576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.398634 (E_RNA)
where:
Base-Base interactions energy: -1898.849
where: short stacking energy: -752.880
Base-Backbone interact. energy: -3.437
local terms energy: -784.112508
where:
bonds (distance) C4'-P energy: -142.572
bonds (distance) P-C4' energy: -128.665
flat angles C4'-P-C4' energy: -153.908
flat angles P-C4'-P energy: -120.434
tors. eta vs tors. theta energy: -238.533
Dist. restrs. and SS energy: 9.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2572.295665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.295665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.612671 (E_RNA)
where:
Base-Base interactions energy: -1823.590
where: short stacking energy: -754.085
Base-Backbone interact. energy: -2.273
local terms energy: -759.749845
where:
bonds (distance) C4'-P energy: -136.042
bonds (distance) P-C4' energy: -135.252
flat angles C4'-P-C4' energy: -147.144
flat angles P-C4'-P energy: -105.533
tors. eta vs tors. theta energy: -235.778
Dist. restrs. and SS energy: 13.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2508.259458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.259458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.385853 (E_RNA)
where:
Base-Base interactions energy: -1812.996
where: short stacking energy: -748.756
Base-Backbone interact. energy: -2.772
local terms energy: -703.617831
where:
bonds (distance) C4'-P energy: -106.003
bonds (distance) P-C4' energy: -115.312
flat angles C4'-P-C4' energy: -146.182
flat angles P-C4'-P energy: -110.738
tors. eta vs tors. theta energy: -225.383
Dist. restrs. and SS energy: 11.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2446.843168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.843168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.695534 (E_RNA)
where:
Base-Base interactions energy: -1745.648
where: short stacking energy: -714.077
Base-Backbone interact. energy: -3.255
local terms energy: -700.792321
where:
bonds (distance) C4'-P energy: -119.700
bonds (distance) P-C4' energy: -92.199
flat angles C4'-P-C4' energy: -170.611
flat angles P-C4'-P energy: -94.284
tors. eta vs tors. theta energy: -223.999
Dist. restrs. and SS energy: 2.852 (S_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: 452
Temperature: 1.200000
Total energy: -2394.578111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.578111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.352306 (E_RNA)
where:
Base-Base interactions energy: -1717.755
where: short stacking energy: -676.843
Base-Backbone interact. energy: 0.240
local terms energy: -684.837372
where:
bonds (distance) C4'-P energy: -123.213
bonds (distance) P-C4' energy: -112.830
flat angles C4'-P-C4' energy: -139.815
flat angles P-C4'-P energy: -88.598
tors. eta vs tors. theta energy: -220.381
Dist. restrs. and SS energy: 7.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -2273.134993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.134993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.445655 (E_RNA)
where:
Base-Base interactions energy: -1613.291
where: short stacking energy: -646.466
Base-Backbone interact. energy: -1.306
local terms energy: -670.848543
where:
bonds (distance) C4'-P energy: -117.776
bonds (distance) P-C4' energy: -135.040
flat angles C4'-P-C4' energy: -129.214
flat angles P-C4'-P energy: -95.857
tors. eta vs tors. theta energy: -192.962
Dist. restrs. and SS energy: 12.311 (S_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: 452
Temperature: 1.300000
Total energy: -2255.469905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.469905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.664941 (E_RNA)
where:
Base-Base interactions energy: -1602.259
where: short stacking energy: -642.967
Base-Backbone interact. energy: -1.662
local terms energy: -662.743902
where:
bonds (distance) C4'-P energy: -114.879
bonds (distance) P-C4' energy: -113.317
flat angles C4'-P-C4' energy: -140.573
flat angles P-C4'-P energy: -91.988
tors. eta vs tors. theta energy: -201.987
Dist. restrs. and SS energy: 11.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -2011.500608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.500608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.997748 (E_RNA)
where:
Base-Base interactions energy: -1445.880
where: short stacking energy: -583.152
Base-Backbone interact. energy: -2.036
local terms energy: -588.082547
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -110.854
flat angles C4'-P-C4' energy: -132.628
flat angles P-C4'-P energy: -76.808
tors. eta vs tors. theta energy: -174.398
Dist. restrs. and SS energy: 24.497 (S_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: 453
Temperature: 0.900000
Total energy: -2790.780622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.780622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.735394 (E_RNA)
where:
Base-Base interactions energy: -1973.518
where: short stacking energy: -804.723
Base-Backbone interact. energy: -0.354
local terms energy: -823.863414
where:
bonds (distance) C4'-P energy: -130.147
bonds (distance) P-C4' energy: -153.182
flat angles C4'-P-C4' energy: -169.115
flat angles P-C4'-P energy: -127.851
tors. eta vs tors. theta energy: -243.569
Dist. restrs. and SS energy: 6.955 (S_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: 453
Temperature: 0.950000
Total energy: -2702.175825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.175825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.097236 (E_RNA)
where:
Base-Base interactions energy: -1918.212
where: short stacking energy: -807.765
Base-Backbone interact. energy: -1.088
local terms energy: -792.797783
where:
bonds (distance) C4'-P energy: -137.599
bonds (distance) P-C4' energy: -132.868
flat angles C4'-P-C4' energy: -155.568
flat angles P-C4'-P energy: -119.657
tors. eta vs tors. theta energy: -247.106
Dist. restrs. and SS energy: 9.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2678.247751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.247751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.818004 (E_RNA)
where:
Base-Base interactions energy: -1891.416
where: short stacking energy: -783.665
Base-Backbone interact. energy: 0.478
local terms energy: -793.879265
where:
bonds (distance) C4'-P energy: -149.073
bonds (distance) P-C4' energy: -117.943
flat angles C4'-P-C4' energy: -161.952
flat angles P-C4'-P energy: -119.808
tors. eta vs tors. theta energy: -245.104
Dist. restrs. and SS energy: 6.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2578.501897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.501897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.258785 (E_RNA)
where:
Base-Base interactions energy: -1812.112
where: short stacking energy: -753.745
Base-Backbone interact. energy: -2.827
local terms energy: -776.319579
where:
bonds (distance) C4'-P energy: -137.532
bonds (distance) P-C4' energy: -130.883
flat angles C4'-P-C4' energy: -142.917
flat angles P-C4'-P energy: -115.163
tors. eta vs tors. theta energy: -249.826
Dist. restrs. and SS energy: 12.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2494.300467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.300467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.708368 (E_RNA)
where:
Base-Base interactions energy: -1747.286
where: short stacking energy: -712.251
Base-Backbone interact. energy: -2.320
local terms energy: -753.102710
where:
bonds (distance) C4'-P energy: -142.671
bonds (distance) P-C4' energy: -132.091
flat angles C4'-P-C4' energy: -164.970
flat angles P-C4'-P energy: -88.629
tors. eta vs tors. theta energy: -224.741
Dist. restrs. and SS energy: 8.408 (S_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: 453
Temperature: 1.150000
Total energy: -2450.144749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.144749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.823646 (E_RNA)
where:
Base-Base interactions energy: -1738.148
where: short stacking energy: -703.862
Base-Backbone interact. energy: 3.831
local terms energy: -722.506650
where:
bonds (distance) C4'-P energy: -110.236
bonds (distance) P-C4' energy: -134.503
flat angles C4'-P-C4' energy: -150.404
flat angles P-C4'-P energy: -100.115
tors. eta vs tors. theta energy: -227.248
Dist. restrs. and SS energy: 6.679 (S_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: -2420.140930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.140930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.642940 (E_RNA)
where:
Base-Base interactions energy: -1726.796
where: short stacking energy: -693.408
Base-Backbone interact. energy: -2.215
local terms energy: -698.632079
where:
bonds (distance) C4'-P energy: -109.125
bonds (distance) P-C4' energy: -107.377
flat angles C4'-P-C4' energy: -156.877
flat angles P-C4'-P energy: -103.270
tors. eta vs tors. theta energy: -221.983
Dist. restrs. and SS energy: 7.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2263.091367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.091367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.993075 (E_RNA)
where:
Base-Base interactions energy: -1616.251
where: short stacking energy: -648.315
Base-Backbone interact. energy: 0.450
local terms energy: -655.192589
where:
bonds (distance) C4'-P energy: -111.338
bonds (distance) P-C4' energy: -112.216
flat angles C4'-P-C4' energy: -137.642
flat angles P-C4'-P energy: -92.356
tors. eta vs tors. theta energy: -201.640
Dist. restrs. and SS energy: 7.902 (S_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: 453
Temperature: 1.300000
Total energy: -2212.426299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.426299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.654141 (E_RNA)
where:
Base-Base interactions energy: -1596.331
where: short stacking energy: -631.261
Base-Backbone interact. energy: -2.407
local terms energy: -618.915934
where:
bonds (distance) C4'-P energy: -104.897
bonds (distance) P-C4' energy: -102.638
flat angles C4'-P-C4' energy: -131.575
flat angles P-C4'-P energy: -78.849
tors. eta vs tors. theta energy: -200.958
Dist. restrs. and SS energy: 5.228 (S_DIST_RNA)
chem. 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: -2007.778265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.778265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.866952 (E_RNA)
where:
Base-Base interactions energy: -1433.196
where: short stacking energy: -553.376
Base-Backbone interact. energy: -0.850
local terms energy: -585.820158
where:
bonds (distance) C4'-P energy: -96.697
bonds (distance) P-C4' energy: -125.494
flat angles C4'-P-C4' energy: -123.553
flat angles P-C4'-P energy: -78.406
tors. eta vs tors. theta energy: -161.669
Dist. restrs. and SS energy: 12.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2772.388773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.388773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.956851 (E_RNA)
where:
Base-Base interactions energy: -1985.334
where: short stacking energy: -817.707
Base-Backbone interact. energy: -3.396
local terms energy: -791.227018
where:
bonds (distance) C4'-P energy: -140.903
bonds (distance) P-C4' energy: -140.883
flat angles C4'-P-C4' energy: -159.439
flat angles P-C4'-P energy: -103.820
tors. eta vs tors. theta energy: -246.182
Dist. restrs. and SS energy: 7.568 (S_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: 454
Temperature: 0.950000
Total energy: -2726.235392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.235392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.438548 (E_RNA)
where:
Base-Base interactions energy: -1925.356
where: short stacking energy: -785.001
Base-Backbone interact. energy: -2.074
local terms energy: -808.008552
where:
bonds (distance) C4'-P energy: -146.058
bonds (distance) P-C4' energy: -138.158
flat angles C4'-P-C4' energy: -161.612
flat angles P-C4'-P energy: -105.162
tors. eta vs tors. theta energy: -257.018
Dist. restrs. and SS energy: 9.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2641.200634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.200634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.072634 (E_RNA)
where:
Base-Base interactions energy: -1872.300
where: short stacking energy: -772.294
Base-Backbone interact. energy: -1.742
local terms energy: -774.031032
where:
bonds (distance) C4'-P energy: -132.365
bonds (distance) P-C4' energy: -132.793
flat angles C4'-P-C4' energy: -151.257
flat angles P-C4'-P energy: -110.875
tors. eta vs tors. theta energy: -246.740
Dist. restrs. and SS energy: 6.872 (S_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: 454
Temperature: 1.050000
Total energy: -2580.648100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.648100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.157733 (E_RNA)
where:
Base-Base interactions energy: -1835.513
where: short stacking energy: -744.125
Base-Backbone interact. energy: -0.670
local terms energy: -755.974148
where:
bonds (distance) C4'-P energy: -133.147
bonds (distance) P-C4' energy: -132.620
flat angles C4'-P-C4' energy: -144.299
flat angles P-C4'-P energy: -104.650
tors. eta vs tors. theta energy: -241.258
Dist. restrs. and SS energy: 11.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2501.109631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.109631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.198049 (E_RNA)
where:
Base-Base interactions energy: -1777.395
where: short stacking energy: -712.893
Base-Backbone interact. energy: -2.497
local terms energy: -727.306001
where:
bonds (distance) C4'-P energy: -123.464
bonds (distance) P-C4' energy: -144.260
flat angles C4'-P-C4' energy: -149.289
flat angles P-C4'-P energy: -94.751
tors. eta vs tors. theta energy: -215.541
Dist. restrs. and SS energy: 6.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2407.790558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.790558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.160057 (E_RNA)
where:
Base-Base interactions energy: -1725.909
where: short stacking energy: -717.925
Base-Backbone interact. energy: -2.520
local terms energy: -684.731229
where:
bonds (distance) C4'-P energy: -137.564
bonds (distance) P-C4' energy: -103.584
flat angles C4'-P-C4' energy: -132.341
flat angles P-C4'-P energy: -93.508
tors. eta vs tors. theta energy: -217.735
Dist. restrs. and SS energy: 5.369 (S_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: -2367.005405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.005405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.219803 (E_RNA)
where:
Base-Base interactions energy: -1635.635
where: short stacking energy: -670.184
Base-Backbone interact. energy: -3.132
local terms energy: -733.452445
where:
bonds (distance) C4'-P energy: -140.023
bonds (distance) P-C4' energy: -125.439
flat angles C4'-P-C4' energy: -148.150
flat angles P-C4'-P energy: -97.666
tors. eta vs tors. theta energy: -222.175
Dist. restrs. and SS energy: 5.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2317.411633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.411633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.318841 (E_RNA)
where:
Base-Base interactions energy: -1650.181
where: short stacking energy: -662.021
Base-Backbone interact. energy: 0.600
local terms energy: -677.738421
where:
bonds (distance) C4'-P energy: -109.555
bonds (distance) P-C4' energy: -130.397
flat angles C4'-P-C4' energy: -143.454
flat angles P-C4'-P energy: -88.654
tors. eta vs tors. theta energy: -205.678
Dist. restrs. and SS energy: 9.907 (S_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: 454
Temperature: 1.300000
Total energy: -2222.252524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.252524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.042558 (E_RNA)
where:
Base-Base interactions energy: -1598.003
where: short stacking energy: -625.154
Base-Backbone interact. energy: -0.634
local terms energy: -628.406178
where:
bonds (distance) C4'-P energy: -109.318
bonds (distance) P-C4' energy: -88.762
flat angles C4'-P-C4' energy: -142.255
flat angles P-C4'-P energy: -88.855
tors. eta vs tors. theta energy: -199.217
Dist. restrs. and SS energy: 4.790 (S_DIST_RNA)
chem. 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: -2045.202141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.202141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.246089 (E_RNA)
where:
Base-Base interactions energy: -1456.431
where: short stacking energy: -572.260
Base-Backbone interact. energy: -0.309
local terms energy: -600.506218
where:
bonds (distance) C4'-P energy: -104.445
bonds (distance) P-C4' energy: -123.666
flat angles C4'-P-C4' energy: -117.577
flat angles P-C4'-P energy: -88.134
tors. eta vs tors. theta energy: -166.685
Dist. restrs. and SS energy: 12.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2809.711090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.711090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.535773 (E_RNA)
where:
Base-Base interactions energy: -2011.092
where: short stacking energy: -815.657
Base-Backbone interact. energy: -3.251
local terms energy: -803.192255
where:
bonds (distance) C4'-P energy: -124.608
bonds (distance) P-C4' energy: -137.026
flat angles C4'-P-C4' energy: -162.219
flat angles P-C4'-P energy: -126.859
tors. eta vs tors. theta energy: -252.480
Dist. restrs. and SS energy: 7.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2720.177738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.177738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.681200 (E_RNA)
where:
Base-Base interactions energy: -1926.848
where: short stacking energy: -790.949
Base-Backbone interact. energy: -2.952
local terms energy: -794.881276
where:
bonds (distance) C4'-P energy: -133.659
bonds (distance) P-C4' energy: -147.003
flat angles C4'-P-C4' energy: -152.923
flat angles P-C4'-P energy: -115.677
tors. eta vs tors. theta energy: -245.618
Dist. restrs. and SS energy: 4.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2681.215253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.215253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.991081 (E_RNA)
where:
Base-Base interactions energy: -1906.015
where: short stacking energy: -783.029
Base-Backbone interact. energy: -2.514
local terms energy: -780.461687
where:
bonds (distance) C4'-P energy: -142.617
bonds (distance) P-C4' energy: -140.370
flat angles C4'-P-C4' energy: -150.449
flat angles P-C4'-P energy: -104.260
tors. eta vs tors. theta energy: -242.766
Dist. restrs. and SS energy: 7.776 (S_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: 455
Temperature: 1.050000
Total energy: -2567.044082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.044082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.011140 (E_RNA)
where:
Base-Base interactions energy: -1812.920
where: short stacking energy: -748.938
Base-Backbone interact. energy: -1.015
local terms energy: -764.075944
where:
bonds (distance) C4'-P energy: -128.284
bonds (distance) P-C4' energy: -128.306
flat angles C4'-P-C4' energy: -160.652
flat angles P-C4'-P energy: -105.540
tors. eta vs tors. theta energy: -241.294
Dist. restrs. and SS energy: 10.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2511.753837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.753837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.489215 (E_RNA)
where:
Base-Base interactions energy: -1782.787
where: short stacking energy: -717.072
Base-Backbone interact. energy: -2.052
local terms energy: -734.649904
where:
bonds (distance) C4'-P energy: -121.386
bonds (distance) P-C4' energy: -123.222
flat angles C4'-P-C4' energy: -154.130
flat angles P-C4'-P energy: -109.781
tors. eta vs tors. theta energy: -226.131
Dist. restrs. and SS energy: 7.735 (S_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: 455
Temperature: 1.150000
Total energy: -2433.068049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.068049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.126416 (E_RNA)
where:
Base-Base interactions energy: -1702.107
where: short stacking energy: -694.329
Base-Backbone interact. energy: -1.587
local terms energy: -735.432068
where:
bonds (distance) C4'-P energy: -134.723
bonds (distance) P-C4' energy: -116.584
flat angles C4'-P-C4' energy: -155.226
flat angles P-C4'-P energy: -108.806
tors. eta vs tors. theta energy: -220.093
Dist. restrs. and SS energy: 6.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2358.762764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.762764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.767803 (E_RNA)
where:
Base-Base interactions energy: -1676.720
where: short stacking energy: -675.944
Base-Backbone interact. energy: -3.358
local terms energy: -683.690425
where:
bonds (distance) C4'-P energy: -116.090
bonds (distance) P-C4' energy: -113.807
flat angles C4'-P-C4' energy: -149.135
flat angles P-C4'-P energy: -95.830
tors. eta vs tors. theta energy: -208.829
Dist. restrs. and SS energy: 5.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2324.157286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.157286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.902831 (E_RNA)
where:
Base-Base interactions energy: -1635.382
where: short stacking energy: -668.036
Base-Backbone interact. energy: 2.020
local terms energy: -698.541157
where:
bonds (distance) C4'-P energy: -122.534
bonds (distance) P-C4' energy: -132.119
flat angles C4'-P-C4' energy: -140.920
flat angles P-C4'-P energy: -98.206
tors. eta vs tors. theta energy: -204.762
Dist. restrs. and SS energy: 7.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -2193.431139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.431139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.565160 (E_RNA)
where:
Base-Base interactions energy: -1582.097
where: short stacking energy: -626.593
Base-Backbone interact. energy: 0.928
local terms energy: -618.395957
where:
bonds (distance) C4'-P energy: -113.811
bonds (distance) P-C4' energy: -102.617
flat angles C4'-P-C4' energy: -126.373
flat angles P-C4'-P energy: -79.979
tors. eta vs tors. theta energy: -195.616
Dist. restrs. and SS energy: 6.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -2033.133845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.133845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.362476 (E_RNA)
where:
Base-Base interactions energy: -1457.107
where: short stacking energy: -576.302
Base-Backbone interact. energy: -3.563
local terms energy: -601.691869
where:
bonds (distance) C4'-P energy: -112.436
bonds (distance) P-C4' energy: -108.406
flat angles C4'-P-C4' energy: -119.201
flat angles P-C4'-P energy: -86.589
tors. eta vs tors. theta energy: -175.060
Dist. restrs. and SS energy: 29.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2819.128559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.128559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.563760 (E_RNA)
where:
Base-Base interactions energy: -2009.837
where: short stacking energy: -848.099
Base-Backbone interact. energy: -4.229
local terms energy: -813.497774
where:
bonds (distance) C4'-P energy: -146.496
bonds (distance) P-C4' energy: -146.688
flat angles C4'-P-C4' energy: -153.367
flat angles P-C4'-P energy: -114.336
tors. eta vs tors. theta energy: -252.611
Dist. restrs. and SS energy: 8.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2732.463058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.463058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.546319 (E_RNA)
where:
Base-Base interactions energy: -1963.252
where: short stacking energy: -816.831
Base-Backbone interact. energy: 0.552
local terms energy: -774.846656
where:
bonds (distance) C4'-P energy: -138.420
bonds (distance) P-C4' energy: -120.176
flat angles C4'-P-C4' energy: -153.461
flat angles P-C4'-P energy: -117.367
tors. eta vs tors. theta energy: -245.423
Dist. restrs. and SS energy: 5.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2667.193887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.193887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.044603 (E_RNA)
where:
Base-Base interactions energy: -1907.072
where: short stacking energy: -787.815
Base-Backbone interact. energy: -0.699
local terms energy: -764.273854
where:
bonds (distance) C4'-P energy: -127.566
bonds (distance) P-C4' energy: -125.006
flat angles C4'-P-C4' energy: -151.666
flat angles P-C4'-P energy: -110.653
tors. eta vs tors. theta energy: -249.382
Dist. restrs. and SS energy: 4.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2573.920872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.920872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.765891 (E_RNA)
where:
Base-Base interactions energy: -1845.814
where: short stacking energy: -742.055
Base-Backbone interact. energy: 3.906
local terms energy: -738.858619
where:
bonds (distance) C4'-P energy: -121.994
bonds (distance) P-C4' energy: -114.492
flat angles C4'-P-C4' energy: -160.763
flat angles P-C4'-P energy: -114.925
tors. eta vs tors. theta energy: -226.684
Dist. restrs. and SS energy: 6.845 (S_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: 456
Temperature: 1.100000
Total energy: -2461.216190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.216190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.944547 (E_RNA)
where:
Base-Base interactions energy: -1733.396
where: short stacking energy: -711.278
Base-Backbone interact. energy: -0.814
local terms energy: -733.733955
where:
bonds (distance) C4'-P energy: -113.238
bonds (distance) P-C4' energy: -140.581
flat angles C4'-P-C4' energy: -152.906
flat angles P-C4'-P energy: -98.372
tors. eta vs tors. theta energy: -228.637
Dist. restrs. and SS energy: 6.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2469.457945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.457945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.850235 (E_RNA)
where:
Base-Base interactions energy: -1753.693
where: short stacking energy: -721.774
Base-Backbone interact. energy: -3.125
local terms energy: -720.031606
where:
bonds (distance) C4'-P energy: -136.255
bonds (distance) P-C4' energy: -117.689
flat angles C4'-P-C4' energy: -150.583
flat angles P-C4'-P energy: -96.818
tors. eta vs tors. theta energy: -218.686
Dist. restrs. and SS energy: 7.392 (S_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: -2323.750237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.750237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.497869 (E_RNA)
where:
Base-Base interactions energy: -1653.000
where: short stacking energy: -672.417
Base-Backbone interact. energy: -4.303
local terms energy: -670.195190
where:
bonds (distance) C4'-P energy: -104.773
bonds (distance) P-C4' energy: -128.877
flat angles C4'-P-C4' energy: -144.494
flat angles P-C4'-P energy: -91.204
tors. eta vs tors. theta energy: -200.846
Dist. restrs. and SS energy: 3.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2316.178700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.178700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.772761 (E_RNA)
where:
Base-Base interactions energy: -1674.581
where: short stacking energy: -700.549
Base-Backbone interact. energy: -2.381
local terms energy: -646.810085
where:
bonds (distance) C4'-P energy: -91.897
bonds (distance) P-C4' energy: -123.271
flat angles C4'-P-C4' energy: -137.100
flat angles P-C4'-P energy: -72.304
tors. eta vs tors. theta energy: -222.238
Dist. restrs. and SS energy: 7.594 (S_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: 456
Temperature: 1.300000
Total energy: -2230.341601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.341601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.400794 (E_RNA)
where:
Base-Base interactions energy: -1610.011
where: short stacking energy: -650.240
Base-Backbone interact. energy: -1.630
local terms energy: -630.759870
where:
bonds (distance) C4'-P energy: -98.876
bonds (distance) P-C4' energy: -116.980
flat angles C4'-P-C4' energy: -135.704
flat angles P-C4'-P energy: -78.802
tors. eta vs tors. theta energy: -200.398
Dist. restrs. and SS energy: 12.059 (S_DIST_RNA)
chem. 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: -2047.173360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.173360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.368214 (E_RNA)
where:
Base-Base interactions energy: -1465.140
where: short stacking energy: -562.910
Base-Backbone interact. energy: 1.828
local terms energy: -603.056550
where:
bonds (distance) C4'-P energy: -102.990
bonds (distance) P-C4' energy: -115.983
flat angles C4'-P-C4' energy: -141.893
flat angles P-C4'-P energy: -71.565
tors. eta vs tors. theta energy: -170.626
Dist. restrs. and SS energy: 19.195 (S_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: 457
Temperature: 0.900000
Total energy: -2802.877358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.877358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.462644 (E_RNA)
where:
Base-Base interactions energy: -2005.203
where: short stacking energy: -812.895
Base-Backbone interact. energy: -1.978
local terms energy: -803.282027
where:
bonds (distance) C4'-P energy: -131.503
bonds (distance) P-C4' energy: -133.878
flat angles C4'-P-C4' energy: -166.506
flat angles P-C4'-P energy: -124.693
tors. eta vs tors. theta energy: -246.701
Dist. restrs. and SS energy: 7.585 (S_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: 457
Temperature: 0.950000
Total energy: -2703.948332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.948332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.494731 (E_RNA)
where:
Base-Base interactions energy: -1908.660
where: short stacking energy: -783.974
Base-Backbone interact. energy: -3.269
local terms energy: -794.565622
where:
bonds (distance) C4'-P energy: -130.703
bonds (distance) P-C4' energy: -141.155
flat angles C4'-P-C4' energy: -169.662
flat angles P-C4'-P energy: -104.328
tors. eta vs tors. theta energy: -248.717
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2653.238103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.238103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.797979 (E_RNA)
where:
Base-Base interactions energy: -1856.560
where: short stacking energy: -779.551
Base-Backbone interact. energy: -0.581
local terms energy: -803.657454
where:
bonds (distance) C4'-P energy: -139.765
bonds (distance) P-C4' energy: -150.876
flat angles C4'-P-C4' energy: -164.817
flat angles P-C4'-P energy: -102.558
tors. eta vs tors. theta energy: -245.641
Dist. restrs. and SS energy: 7.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2558.884288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.884288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.616151 (E_RNA)
where:
Base-Base interactions energy: -1821.218
where: short stacking energy: -714.834
Base-Backbone interact. energy: -2.766
local terms energy: -743.632160
where:
bonds (distance) C4'-P energy: -125.441
bonds (distance) P-C4' energy: -122.606
flat angles C4'-P-C4' energy: -164.747
flat angles P-C4'-P energy: -99.267
tors. eta vs tors. theta energy: -231.572
Dist. restrs. and SS energy: 8.732 (S_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: 457
Temperature: 1.100000
Total energy: -2453.533379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.533379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.516746 (E_RNA)
where:
Base-Base interactions energy: -1732.258
where: short stacking energy: -699.373
Base-Backbone interact. energy: -4.173
local terms energy: -725.085952
where:
bonds (distance) C4'-P energy: -132.880
bonds (distance) P-C4' energy: -127.793
flat angles C4'-P-C4' energy: -145.348
flat angles P-C4'-P energy: -114.458
tors. eta vs tors. theta energy: -204.606
Dist. restrs. and SS energy: 7.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2460.695997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.695997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.399502 (E_RNA)
where:
Base-Base interactions energy: -1757.976
where: short stacking energy: -688.932
Base-Backbone interact. energy: -0.382
local terms energy: -709.041035
where:
bonds (distance) C4'-P energy: -125.718
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -149.552
flat angles P-C4'-P energy: -100.290
tors. eta vs tors. theta energy: -224.377
Dist. restrs. and SS energy: 6.704 (S_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: -2363.948618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.948618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.536654 (E_RNA)
where:
Base-Base interactions energy: -1666.532
where: short stacking energy: -676.902
Base-Backbone interact. energy: -0.528
local terms energy: -700.476816
where:
bonds (distance) C4'-P energy: -138.440
bonds (distance) P-C4' energy: -95.510
flat angles C4'-P-C4' energy: -146.022
flat angles P-C4'-P energy: -102.969
tors. eta vs tors. theta energy: -217.536
Dist. restrs. and SS energy: 3.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2311.854443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.854443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.879526 (E_RNA)
where:
Base-Base interactions energy: -1688.452
where: short stacking energy: -678.966
Base-Backbone interact. energy: -1.677
local terms energy: -628.750629
where:
bonds (distance) C4'-P energy: -94.570
bonds (distance) P-C4' energy: -103.950
flat angles C4'-P-C4' energy: -137.573
flat angles P-C4'-P energy: -74.963
tors. eta vs tors. theta energy: -217.694
Dist. restrs. and SS energy: 7.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -2222.988463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.988463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.933870 (E_RNA)
where:
Base-Base interactions energy: -1595.741
where: short stacking energy: -645.401
Base-Backbone interact. energy: 1.248
local terms energy: -636.440543
where:
bonds (distance) C4'-P energy: -108.930
bonds (distance) P-C4' energy: -97.190
flat angles C4'-P-C4' energy: -136.474
flat angles P-C4'-P energy: -94.111
tors. eta vs tors. theta energy: -199.736
Dist. restrs. and SS energy: 7.945 (S_DIST_RNA)
chem. 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: -2027.602419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.602419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.099224 (E_RNA)
where:
Base-Base interactions energy: -1459.615
where: short stacking energy: -558.488
Base-Backbone interact. energy: -2.801
local terms energy: -582.683337
where:
bonds (distance) C4'-P energy: -92.272
bonds (distance) P-C4' energy: -103.630
flat angles C4'-P-C4' energy: -122.402
flat angles P-C4'-P energy: -81.078
tors. eta vs tors. theta energy: -183.301
Dist. restrs. and SS energy: 17.497 (S_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: 458
Temperature: 0.900000
Total energy: -2802.014520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.014520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.556547 (E_RNA)
where:
Base-Base interactions energy: -1991.592
where: short stacking energy: -834.363
Base-Backbone interact. energy: 0.431
local terms energy: -820.396089
where:
bonds (distance) C4'-P energy: -147.674
bonds (distance) P-C4' energy: -135.898
flat angles C4'-P-C4' energy: -164.815
flat angles P-C4'-P energy: -113.545
tors. eta vs tors. theta energy: -258.464
Dist. restrs. and SS energy: 9.542 (S_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: 458
Temperature: 0.950000
Total energy: -2694.232146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.232146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.238365 (E_RNA)
where:
Base-Base interactions energy: -1889.210
where: short stacking energy: -778.331
Base-Backbone interact. energy: -3.215
local terms energy: -805.813290
where:
bonds (distance) C4'-P energy: -132.106
bonds (distance) P-C4' energy: -152.816
flat angles C4'-P-C4' energy: -163.542
flat angles P-C4'-P energy: -106.958
tors. eta vs tors. theta energy: -250.392
Dist. restrs. and SS energy: 4.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2658.339887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.339887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.466637 (E_RNA)
where:
Base-Base interactions energy: -1878.245
where: short stacking energy: -775.772
Base-Backbone interact. energy: -3.093
local terms energy: -781.128585
where:
bonds (distance) C4'-P energy: -142.707
bonds (distance) P-C4' energy: -128.130
flat angles C4'-P-C4' energy: -165.522
flat angles P-C4'-P energy: -102.692
tors. eta vs tors. theta energy: -242.078
Dist. restrs. and SS energy: 4.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2570.863821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.863821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.199332 (E_RNA)
where:
Base-Base interactions energy: -1826.749
where: short stacking energy: -750.209
Base-Backbone interact. energy: 1.457
local terms energy: -754.907345
where:
bonds (distance) C4'-P energy: -122.249
bonds (distance) P-C4' energy: -143.046
flat angles C4'-P-C4' energy: -151.436
flat angles P-C4'-P energy: -107.950
tors. eta vs tors. theta energy: -230.226
Dist. restrs. and SS energy: 9.336 (S_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: 458
Temperature: 1.100000
Total energy: -2490.897335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.897335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.969128 (E_RNA)
where:
Base-Base interactions energy: -1756.882
where: short stacking energy: -718.237
Base-Backbone interact. energy: -2.255
local terms energy: -743.832214
where:
bonds (distance) C4'-P energy: -122.138
bonds (distance) P-C4' energy: -123.582
flat angles C4'-P-C4' energy: -156.304
flat angles P-C4'-P energy: -111.270
tors. eta vs tors. theta energy: -230.539
Dist. restrs. and SS energy: 12.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2437.992112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.992112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.477731 (E_RNA)
where:
Base-Base interactions energy: -1739.004
where: short stacking energy: -706.214
Base-Backbone interact. energy: 0.472
local terms energy: -711.945444
where:
bonds (distance) C4'-P energy: -128.546
bonds (distance) P-C4' energy: -134.280
flat angles C4'-P-C4' energy: -141.226
flat angles P-C4'-P energy: -93.143
tors. eta vs tors. theta energy: -214.749
Dist. restrs. and SS energy: 12.486 (S_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: -2354.396824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.396824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.248088 (E_RNA)
where:
Base-Base interactions energy: -1674.615
where: short stacking energy: -677.647
Base-Backbone interact. energy: 0.914
local terms energy: -684.547112
where:
bonds (distance) C4'-P energy: -111.421
bonds (distance) P-C4' energy: -114.163
flat angles C4'-P-C4' energy: -145.358
flat angles P-C4'-P energy: -104.920
tors. eta vs tors. theta energy: -208.685
Dist. restrs. and SS energy: 3.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -2268.141797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.141797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.313657 (E_RNA)
where:
Base-Base interactions energy: -1616.520
where: short stacking energy: -657.894
Base-Backbone interact. energy: -2.995
local terms energy: -654.798524
where:
bonds (distance) C4'-P energy: -108.623
bonds (distance) P-C4' energy: -123.185
flat angles C4'-P-C4' energy: -141.039
flat angles P-C4'-P energy: -94.660
tors. eta vs tors. theta energy: -187.292
Dist. restrs. and SS energy: 6.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -2183.493449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.493449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.450123 (E_RNA)
where:
Base-Base interactions energy: -1539.924
where: short stacking energy: -654.113
Base-Backbone interact. energy: 0.054
local terms energy: -652.580222
where:
bonds (distance) C4'-P energy: -117.263
bonds (distance) P-C4' energy: -119.088
flat angles C4'-P-C4' energy: -140.883
flat angles P-C4'-P energy: -71.200
tors. eta vs tors. theta energy: -204.146
Dist. restrs. and SS energy: 8.957 (S_DIST_RNA)
chem. 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: -2073.664355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.664355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.102006 (E_RNA)
where:
Base-Base interactions energy: -1502.318
where: short stacking energy: -590.577
Base-Backbone interact. energy: 0.527
local terms energy: -587.311040
where:
bonds (distance) C4'-P energy: -103.266
bonds (distance) P-C4' energy: -95.953
flat angles C4'-P-C4' energy: -137.364
flat angles P-C4'-P energy: -80.106
tors. eta vs tors. theta energy: -170.621
Dist. restrs. and SS energy: 15.438 (S_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: 459
Temperature: 0.900000
Total energy: -2815.672206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.672206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.599759 (E_RNA)
where:
Base-Base interactions energy: -2006.804
where: short stacking energy: -841.042
Base-Backbone interact. energy: -2.077
local terms energy: -817.718273
where:
bonds (distance) C4'-P energy: -134.597
bonds (distance) P-C4' energy: -135.445
flat angles C4'-P-C4' energy: -172.998
flat angles P-C4'-P energy: -116.278
tors. eta vs tors. theta energy: -258.400
Dist. restrs. and SS energy: 10.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2701.329275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.329275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.398183 (E_RNA)
where:
Base-Base interactions energy: -1912.574
where: short stacking energy: -785.862
Base-Backbone interact. energy: -3.174
local terms energy: -789.649448
where:
bonds (distance) C4'-P energy: -140.235
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -161.736
flat angles P-C4'-P energy: -108.585
tors. eta vs tors. theta energy: -251.851
Dist. restrs. and SS energy: 4.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2651.724913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.724913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.858913 (E_RNA)
where:
Base-Base interactions energy: -1870.776
where: short stacking energy: -768.259
Base-Backbone interact. energy: -2.415
local terms energy: -782.667438
where:
bonds (distance) C4'-P energy: -145.924
bonds (distance) P-C4' energy: -134.682
flat angles C4'-P-C4' energy: -152.986
flat angles P-C4'-P energy: -101.117
tors. eta vs tors. theta energy: -247.958
Dist. restrs. and SS energy: 4.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2538.810559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.810559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.062341 (E_RNA)
where:
Base-Base interactions energy: -1802.339
where: short stacking energy: -718.967
Base-Backbone interact. energy: -2.385
local terms energy: -742.338802
where:
bonds (distance) C4'-P energy: -103.871
bonds (distance) P-C4' energy: -138.003
flat angles C4'-P-C4' energy: -162.945
flat angles P-C4'-P energy: -106.781
tors. eta vs tors. theta energy: -230.738
Dist. restrs. and SS energy: 8.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2503.638632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.638632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.000730 (E_RNA)
where:
Base-Base interactions energy: -1798.394
where: short stacking energy: -726.557
Base-Backbone interact. energy: 0.126
local terms energy: -715.733445
where:
bonds (distance) C4'-P energy: -122.826
bonds (distance) P-C4' energy: -110.809
flat angles C4'-P-C4' energy: -148.733
flat angles P-C4'-P energy: -100.709
tors. eta vs tors. theta energy: -232.656
Dist. restrs. and SS energy: 10.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2419.726117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.726117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.905076 (E_RNA)
where:
Base-Base interactions energy: -1739.750
where: short stacking energy: -695.040
Base-Backbone interact. energy: -1.405
local terms energy: -688.750297
where:
bonds (distance) C4'-P energy: -108.053
bonds (distance) P-C4' energy: -116.574
flat angles C4'-P-C4' energy: -155.717
flat angles P-C4'-P energy: -95.662
tors. eta vs tors. theta energy: -212.744
Dist. restrs. and SS energy: 10.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2340.562634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.562634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.869356 (E_RNA)
where:
Base-Base interactions energy: -1639.831
where: short stacking energy: -657.546
Base-Backbone interact. energy: -2.736
local terms energy: -705.302120
where:
bonds (distance) C4'-P energy: -103.109
bonds (distance) P-C4' energy: -116.648
flat angles C4'-P-C4' energy: -157.778
flat angles P-C4'-P energy: -108.290
tors. eta vs tors. theta energy: -219.477
Dist. restrs. and SS energy: 7.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2293.934651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.934651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.321382 (E_RNA)
where:
Base-Base interactions energy: -1641.811
where: short stacking energy: -655.831
Base-Backbone interact. energy: 1.902
local terms energy: -659.412462
where:
bonds (distance) C4'-P energy: -90.373
bonds (distance) P-C4' energy: -116.823
flat angles C4'-P-C4' energy: -136.179
flat angles P-C4'-P energy: -105.183
tors. eta vs tors. theta energy: -210.854
Dist. restrs. and SS energy: 5.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -2233.456304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.456304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.972035 (E_RNA)
where:
Base-Base interactions energy: -1580.430
where: short stacking energy: -650.955
Base-Backbone interact. energy: 1.020
local terms energy: -664.561306
where:
bonds (distance) C4'-P energy: -119.172
bonds (distance) P-C4' energy: -117.717
flat angles C4'-P-C4' energy: -141.585
flat angles P-C4'-P energy: -87.467
tors. eta vs tors. theta energy: -198.620
Dist. restrs. and SS energy: 10.516 (S_DIST_RNA)
chem. 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: -2028.070817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.070817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.990952 (E_RNA)
where:
Base-Base interactions energy: -1474.048
where: short stacking energy: -586.838
Base-Backbone interact. energy: -1.095
local terms energy: -574.848586
where:
bonds (distance) C4'-P energy: -91.365
bonds (distance) P-C4' energy: -118.793
flat angles C4'-P-C4' energy: -124.421
flat angles P-C4'-P energy: -76.138
tors. eta vs tors. theta energy: -164.132
Dist. restrs. and SS energy: 21.920 (S_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: 460
Temperature: 0.900000
Total energy: -2848.758329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.758329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.189425 (E_RNA)
where:
Base-Base interactions energy: -2041.885
where: short stacking energy: -840.083
Base-Backbone interact. energy: -2.950
local terms energy: -812.353841
where:
bonds (distance) C4'-P energy: -140.947
bonds (distance) P-C4' energy: -134.853
flat angles C4'-P-C4' energy: -163.493
flat angles P-C4'-P energy: -118.238
tors. eta vs tors. theta energy: -254.823
Dist. restrs. and SS energy: 8.431 (S_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: 460
Temperature: 0.950000
Total energy: -2712.031867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.031867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.012364 (E_RNA)
where:
Base-Base interactions energy: -1909.008
where: short stacking energy: -762.753
Base-Backbone interact. energy: -3.277
local terms energy: -803.727671
where:
bonds (distance) C4'-P energy: -147.337
bonds (distance) P-C4' energy: -137.246
flat angles C4'-P-C4' energy: -165.487
flat angles P-C4'-P energy: -118.757
tors. eta vs tors. theta energy: -234.901
Dist. restrs. and SS energy: 3.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2634.989054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.989054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.404847 (E_RNA)
where:
Base-Base interactions energy: -1855.508
where: short stacking energy: -765.628
Base-Backbone interact. energy: -2.514
local terms energy: -784.382665
where:
bonds (distance) C4'-P energy: -140.683
bonds (distance) P-C4' energy: -134.674
flat angles C4'-P-C4' energy: -155.928
flat angles P-C4'-P energy: -109.031
tors. eta vs tors. theta energy: -244.066
Dist. restrs. and SS energy: 7.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2494.936341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.936341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.074177 (E_RNA)
where:
Base-Base interactions energy: -1759.678
where: short stacking energy: -703.066
Base-Backbone interact. energy: -0.900
local terms energy: -742.495761
where:
bonds (distance) C4'-P energy: -110.220
bonds (distance) P-C4' energy: -142.370
flat angles C4'-P-C4' energy: -148.003
flat angles P-C4'-P energy: -124.716
tors. eta vs tors. theta energy: -217.187
Dist. restrs. and SS energy: 8.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2538.971605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.971605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.023230 (E_RNA)
where:
Base-Base interactions energy: -1790.768
where: short stacking energy: -750.027
Base-Backbone interact. energy: -1.234
local terms energy: -756.021049
where:
bonds (distance) C4'-P energy: -117.440
bonds (distance) P-C4' energy: -128.903
flat angles C4'-P-C4' energy: -153.966
flat angles P-C4'-P energy: -113.729
tors. eta vs tors. theta energy: -241.982
Dist. restrs. and SS energy: 9.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2445.138468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.138468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.105996 (E_RNA)
where:
Base-Base interactions energy: -1766.536
where: short stacking energy: -716.389
Base-Backbone interact. energy: 3.101
local terms energy: -693.671800
where:
bonds (distance) C4'-P energy: -99.822
bonds (distance) P-C4' energy: -117.255
flat angles C4'-P-C4' energy: -142.823
flat angles P-C4'-P energy: -103.606
tors. eta vs tors. theta energy: -230.166
Dist. restrs. and SS energy: 11.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2368.846810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.846810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.646531 (E_RNA)
where:
Base-Base interactions energy: -1674.255
where: short stacking energy: -679.400
Base-Backbone interact. energy: -1.351
local terms energy: -702.041224
where:
bonds (distance) C4'-P energy: -105.877
bonds (distance) P-C4' energy: -136.423
flat angles C4'-P-C4' energy: -143.608
flat angles P-C4'-P energy: -104.215
tors. eta vs tors. theta energy: -211.919
Dist. restrs. and SS energy: 8.800 (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: 460
Temperature: 1.250000
Total energy: -2347.862931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.862931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.442824 (E_RNA)
where:
Base-Base interactions energy: -1683.064
where: short stacking energy: -700.503
Base-Backbone interact. energy: -2.651
local terms energy: -666.727828
where:
bonds (distance) C4'-P energy: -116.771
bonds (distance) P-C4' energy: -110.963
flat angles C4'-P-C4' energy: -134.056
flat angles P-C4'-P energy: -84.960
tors. eta vs tors. theta energy: -219.977
Dist. restrs. and SS energy: 4.580 (S_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: 460
Temperature: 1.300000
Total energy: -2155.566195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.566195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.543239 (E_RNA)
where:
Base-Base interactions energy: -1541.396
where: short stacking energy: -629.412
Base-Backbone interact. energy: 0.657
local terms energy: -627.803870
where:
bonds (distance) C4'-P energy: -104.689
bonds (distance) P-C4' energy: -112.299
flat angles C4'-P-C4' energy: -139.261
flat angles P-C4'-P energy: -86.021
tors. eta vs tors. theta energy: -185.535
Dist. restrs. and SS energy: 12.977 (S_DIST_RNA)
chem. 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: -1958.733298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.733298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.398589 (E_RNA)
where:
Base-Base interactions energy: -1404.986
where: short stacking energy: -565.496
Base-Backbone interact. energy: -3.198
local terms energy: -575.213668
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -100.810
flat angles C4'-P-C4' energy: -127.308
flat angles P-C4'-P energy: -76.600
tors. eta vs tors. theta energy: -163.673
Dist. restrs. and SS energy: 24.665 (S_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: 461
Temperature: 0.900000
Total energy: -2815.709150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.709150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.835463 (E_RNA)
where:
Base-Base interactions energy: -1986.019
where: short stacking energy: -822.595
Base-Backbone interact. energy: 1.628
local terms energy: -840.444988
where:
bonds (distance) C4'-P energy: -132.593
bonds (distance) P-C4' energy: -146.177
flat angles C4'-P-C4' energy: -178.085
flat angles P-C4'-P energy: -127.637
tors. eta vs tors. theta energy: -255.953
Dist. restrs. and SS energy: 9.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2711.054436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.054436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.507275 (E_RNA)
where:
Base-Base interactions energy: -1951.225
where: short stacking energy: -794.387
Base-Backbone interact. energy: -1.185
local terms energy: -762.097646
where:
bonds (distance) C4'-P energy: -122.018
bonds (distance) P-C4' energy: -120.373
flat angles C4'-P-C4' energy: -168.754
flat angles P-C4'-P energy: -98.128
tors. eta vs tors. theta energy: -252.824
Dist. restrs. and SS energy: 3.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2640.532038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.532038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.324089 (E_RNA)
where:
Base-Base interactions energy: -1880.434
where: short stacking energy: -772.868
Base-Backbone interact. energy: -2.599
local terms energy: -762.291413
where:
bonds (distance) C4'-P energy: -117.461
bonds (distance) P-C4' energy: -133.921
flat angles C4'-P-C4' energy: -158.020
flat angles P-C4'-P energy: -118.822
tors. eta vs tors. theta energy: -234.068
Dist. restrs. and SS energy: 4.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2578.562026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.562026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.947879 (E_RNA)
where:
Base-Base interactions energy: -1845.840
where: short stacking energy: -757.259
Base-Backbone interact. energy: -1.137
local terms energy: -739.970353
where:
bonds (distance) C4'-P energy: -124.928
bonds (distance) P-C4' energy: -117.440
flat angles C4'-P-C4' energy: -159.580
flat angles P-C4'-P energy: -104.399
tors. eta vs tors. theta energy: -233.625
Dist. restrs. and SS energy: 8.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2455.343155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.343155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.406474 (E_RNA)
where:
Base-Base interactions energy: -1734.259
where: short stacking energy: -692.724
Base-Backbone interact. energy: -4.957
local terms energy: -724.189740
where:
bonds (distance) C4'-P energy: -121.065
bonds (distance) P-C4' energy: -136.270
flat angles C4'-P-C4' energy: -140.707
flat angles P-C4'-P energy: -104.901
tors. eta vs tors. theta energy: -221.247
Dist. restrs. and SS energy: 8.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2497.312413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.312413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.203981 (E_RNA)
where:
Base-Base interactions energy: -1758.633
where: short stacking energy: -700.222
Base-Backbone interact. energy: -1.400
local terms energy: -747.170308
where:
bonds (distance) C4'-P energy: -132.177
bonds (distance) P-C4' energy: -135.233
flat angles C4'-P-C4' energy: -150.857
flat angles P-C4'-P energy: -111.445
tors. eta vs tors. theta energy: -217.459
Dist. restrs. and SS energy: 9.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2340.824701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.824701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.713149 (E_RNA)
where:
Base-Base interactions energy: -1673.209
where: short stacking energy: -673.988
Base-Backbone interact. energy: -2.014
local terms energy: -673.490567
where:
bonds (distance) C4'-P energy: -115.536
bonds (distance) P-C4' energy: -123.411
flat angles C4'-P-C4' energy: -136.668
flat angles P-C4'-P energy: -95.519
tors. eta vs tors. theta energy: -202.357
Dist. restrs. and SS energy: 7.888 (S_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: 461
Temperature: 1.250000
Total energy: -2313.759615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.759615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.020073 (E_RNA)
where:
Base-Base interactions energy: -1644.871
where: short stacking energy: -667.219
Base-Backbone interact. energy: -2.060
local terms energy: -676.088732
where:
bonds (distance) C4'-P energy: -111.436
bonds (distance) P-C4' energy: -117.741
flat angles C4'-P-C4' energy: -148.769
flat angles P-C4'-P energy: -84.384
tors. eta vs tors. theta energy: -213.759
Dist. restrs. and SS energy: 9.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -2151.620875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.620875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.439097 (E_RNA)
where:
Base-Base interactions energy: -1556.583
where: short stacking energy: -628.622
Base-Backbone interact. energy: 1.305
local terms energy: -608.161206
where:
bonds (distance) C4'-P energy: -87.091
bonds (distance) P-C4' energy: -122.780
flat angles C4'-P-C4' energy: -121.294
flat angles P-C4'-P energy: -89.206
tors. eta vs tors. theta energy: -187.791
Dist. restrs. and SS energy: 11.818 (S_DIST_RNA)
chem. 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: -1962.919134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.919134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.409014 (E_RNA)
where:
Base-Base interactions energy: -1369.517
where: short stacking energy: -535.696
Base-Backbone interact. energy: -1.432
local terms energy: -613.460080
where:
bonds (distance) C4'-P energy: -92.563
bonds (distance) P-C4' energy: -123.662
flat angles C4'-P-C4' energy: -136.431
flat angles P-C4'-P energy: -80.216
tors. eta vs tors. theta energy: -180.589
Dist. restrs. and SS energy: 21.490 (S_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: 462
Temperature: 0.900000
Total energy: -2820.999004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.999004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.664364 (E_RNA)
where:
Base-Base interactions energy: -1997.190
where: short stacking energy: -825.066
Base-Backbone interact. energy: 0.322
local terms energy: -832.795718
where:
bonds (distance) C4'-P energy: -151.156
bonds (distance) P-C4' energy: -139.712
flat angles C4'-P-C4' energy: -165.125
flat angles P-C4'-P energy: -122.322
tors. eta vs tors. theta energy: -254.481
Dist. restrs. and SS energy: 8.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2714.200792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.200792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.940032 (E_RNA)
where:
Base-Base interactions energy: -1907.586
where: short stacking energy: -776.688
Base-Backbone interact. energy: 0.252
local terms energy: -810.606625
where:
bonds (distance) C4'-P energy: -140.160
bonds (distance) P-C4' energy: -140.594
flat angles C4'-P-C4' energy: -171.795
flat angles P-C4'-P energy: -115.293
tors. eta vs tors. theta energy: -242.765
Dist. restrs. and SS energy: 3.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2628.460863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.460863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.749529 (E_RNA)
where:
Base-Base interactions energy: -1858.160
where: short stacking energy: -783.869
Base-Backbone interact. energy: -1.436
local terms energy: -776.153541
where:
bonds (distance) C4'-P energy: -113.044
bonds (distance) P-C4' energy: -134.066
flat angles C4'-P-C4' energy: -171.779
flat angles P-C4'-P energy: -111.321
tors. eta vs tors. theta energy: -245.943
Dist. restrs. and SS energy: 7.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2570.638310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.638310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.495805 (E_RNA)
where:
Base-Base interactions energy: -1833.115
where: short stacking energy: -742.133
Base-Backbone interact. energy: -2.808
local terms energy: -741.572828
where:
bonds (distance) C4'-P energy: -124.470
bonds (distance) P-C4' energy: -123.545
flat angles C4'-P-C4' energy: -149.387
flat angles P-C4'-P energy: -106.755
tors. eta vs tors. theta energy: -237.415
Dist. restrs. and SS energy: 6.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2474.753181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.753181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.521728 (E_RNA)
where:
Base-Base interactions energy: -1737.801
where: short stacking energy: -703.301
Base-Backbone interact. energy: -3.313
local terms energy: -741.406818
where:
bonds (distance) C4'-P energy: -141.457
bonds (distance) P-C4' energy: -124.109
flat angles C4'-P-C4' energy: -160.071
flat angles P-C4'-P energy: -92.596
tors. eta vs tors. theta energy: -223.173
Dist. restrs. and SS energy: 7.769 (S_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: 462
Temperature: 1.150000
Total energy: -2429.560613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.560613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.244646 (E_RNA)
where:
Base-Base interactions energy: -1736.925
where: short stacking energy: -712.225
Base-Backbone interact. energy: -2.099
local terms energy: -703.220766
where:
bonds (distance) C4'-P energy: -99.683
bonds (distance) P-C4' energy: -133.835
flat angles C4'-P-C4' energy: -144.642
flat angles P-C4'-P energy: -103.026
tors. eta vs tors. theta energy: -222.034
Dist. restrs. and SS energy: 12.684 (S_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: -2340.385598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.385598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.035070 (E_RNA)
where:
Base-Base interactions energy: -1653.152
where: short stacking energy: -664.889
Base-Backbone interact. energy: -0.075
local terms energy: -691.808722
where:
bonds (distance) C4'-P energy: -118.150
bonds (distance) P-C4' energy: -134.301
flat angles C4'-P-C4' energy: -139.232
flat angles P-C4'-P energy: -91.819
tors. eta vs tors. theta energy: -208.307
Dist. restrs. and SS energy: 4.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2316.382897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.382897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.050594 (E_RNA)
where:
Base-Base interactions energy: -1635.719
where: short stacking energy: -666.685
Base-Backbone interact. energy: -1.414
local terms energy: -682.917357
where:
bonds (distance) C4'-P energy: -116.603
bonds (distance) P-C4' energy: -112.428
flat angles C4'-P-C4' energy: -143.316
flat angles P-C4'-P energy: -99.135
tors. eta vs tors. theta energy: -211.435
Dist. restrs. and SS energy: 3.668 (S_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: 462
Temperature: 1.300000
Total energy: -2207.126766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.126766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.537920 (E_RNA)
where:
Base-Base interactions energy: -1571.385
where: short stacking energy: -625.728
Base-Backbone interact. energy: -0.877
local terms energy: -645.276361
where:
bonds (distance) C4'-P energy: -106.544
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -134.798
flat angles P-C4'-P energy: -84.333
tors. eta vs tors. theta energy: -200.845
Dist. restrs. and SS energy: 10.411 (S_DIST_RNA)
chem. 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: -1995.105141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.105141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.734882 (E_RNA)
where:
Base-Base interactions energy: -1414.270
where: short stacking energy: -574.513
Base-Backbone interact. energy: 0.428
local terms energy: -603.892963
where:
bonds (distance) C4'-P energy: -113.041
bonds (distance) P-C4' energy: -103.215
flat angles C4'-P-C4' energy: -126.683
flat angles P-C4'-P energy: -73.186
tors. eta vs tors. theta energy: -187.768
Dist. restrs. and SS energy: 22.630 (S_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: 463
Temperature: 0.900000
Total energy: -2800.576344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.576344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.932644 (E_RNA)
where:
Base-Base interactions energy: -1986.319
where: short stacking energy: -827.537
Base-Backbone interact. energy: -2.133
local terms energy: -820.480346
where:
bonds (distance) C4'-P energy: -137.457
bonds (distance) P-C4' energy: -148.429
flat angles C4'-P-C4' energy: -163.491
flat angles P-C4'-P energy: -115.829
tors. eta vs tors. theta energy: -255.274
Dist. restrs. and SS energy: 8.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2737.139866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.139866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.991937 (E_RNA)
where:
Base-Base interactions energy: -1931.610
where: short stacking energy: -776.629
Base-Backbone interact. energy: -1.479
local terms energy: -807.902448
where:
bonds (distance) C4'-P energy: -146.592
bonds (distance) P-C4' energy: -141.542
flat angles C4'-P-C4' energy: -164.799
flat angles P-C4'-P energy: -114.041
tors. eta vs tors. theta energy: -240.929
Dist. restrs. and SS energy: 3.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2646.164216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.164216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.934052 (E_RNA)
where:
Base-Base interactions energy: -1892.372
where: short stacking energy: -760.529
Base-Backbone interact. energy: -0.294
local terms energy: -760.267615
where:
bonds (distance) C4'-P energy: -121.663
bonds (distance) P-C4' energy: -137.272
flat angles C4'-P-C4' energy: -154.362
flat angles P-C4'-P energy: -116.696
tors. eta vs tors. theta energy: -230.275
Dist. restrs. and SS energy: 6.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2572.684044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.684044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.639179 (E_RNA)
where:
Base-Base interactions energy: -1807.916
where: short stacking energy: -744.222
Base-Backbone interact. energy: -1.588
local terms energy: -770.135960
where:
bonds (distance) C4'-P energy: -138.465
bonds (distance) P-C4' energy: -133.012
flat angles C4'-P-C4' energy: -146.311
flat angles P-C4'-P energy: -115.211
tors. eta vs tors. theta energy: -237.137
Dist. restrs. and SS energy: 6.955 (S_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: 463
Temperature: 1.100000
Total energy: -2506.215766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.215766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.758455 (E_RNA)
where:
Base-Base interactions energy: -1782.007
where: short stacking energy: -738.213
Base-Backbone interact. energy: -1.080
local terms energy: -734.671738
where:
bonds (distance) C4'-P energy: -116.140
bonds (distance) P-C4' energy: -129.696
flat angles C4'-P-C4' energy: -156.260
flat angles P-C4'-P energy: -98.489
tors. eta vs tors. theta energy: -234.085
Dist. restrs. and SS energy: 11.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2416.771737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.771737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.462552 (E_RNA)
where:
Base-Base interactions energy: -1732.552
where: short stacking energy: -717.100
Base-Backbone interact. energy: 1.072
local terms energy: -698.982206
where:
bonds (distance) C4'-P energy: -119.808
bonds (distance) P-C4' energy: -95.778
flat angles C4'-P-C4' energy: -152.745
flat angles P-C4'-P energy: -103.324
tors. eta vs tors. theta energy: -227.327
Dist. restrs. and SS energy: 13.691 (S_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: 463
Temperature: 1.200000
Total energy: -2363.676827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.676827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.542839 (E_RNA)
where:
Base-Base interactions energy: -1715.337
where: short stacking energy: -684.259
Base-Backbone interact. energy: -2.663
local terms energy: -648.543000
where:
bonds (distance) C4'-P energy: -104.749
bonds (distance) P-C4' energy: -113.262
flat angles C4'-P-C4' energy: -139.746
flat angles P-C4'-P energy: -81.955
tors. eta vs tors. theta energy: -208.832
Dist. restrs. and SS energy: 2.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2263.454661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.454661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.788326 (E_RNA)
where:
Base-Base interactions energy: -1626.196
where: short stacking energy: -677.511
Base-Backbone interact. energy: 5.879
local terms energy: -649.471557
where:
bonds (distance) C4'-P energy: -89.921
bonds (distance) P-C4' energy: -125.652
flat angles C4'-P-C4' energy: -147.352
flat angles P-C4'-P energy: -82.792
tors. eta vs tors. theta energy: -203.755
Dist. restrs. and SS energy: 6.334 (S_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: 463
Temperature: 1.300000
Total energy: -2141.363615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.363615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.449378 (E_RNA)
where:
Base-Base interactions energy: -1527.245
where: short stacking energy: -625.993
Base-Backbone interact. energy: -0.144
local terms energy: -625.060090
where:
bonds (distance) C4'-P energy: -96.049
bonds (distance) P-C4' energy: -115.364
flat angles C4'-P-C4' energy: -131.649
flat angles P-C4'-P energy: -82.910
tors. eta vs tors. theta energy: -199.089
Dist. restrs. and SS energy: 11.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1995.693935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.693935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.187286 (E_RNA)
where:
Base-Base interactions energy: -1400.857
where: short stacking energy: -555.500
Base-Backbone interact. energy: 2.495
local terms energy: -611.825600
where:
bonds (distance) C4'-P energy: -112.849
bonds (distance) P-C4' energy: -127.191
flat angles C4'-P-C4' energy: -135.220
flat angles P-C4'-P energy: -67.501
tors. eta vs tors. theta energy: -169.065
Dist. restrs. and SS energy: 14.493 (S_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: 464
Temperature: 0.900000
Total energy: -2828.802157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.802157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.261597 (E_RNA)
where:
Base-Base interactions energy: -2009.528
where: short stacking energy: -835.000
Base-Backbone interact. energy: -3.043
local terms energy: -824.691190
where:
bonds (distance) C4'-P energy: -131.474
bonds (distance) P-C4' energy: -151.353
flat angles C4'-P-C4' energy: -167.861
flat angles P-C4'-P energy: -112.609
tors. eta vs tors. theta energy: -261.394
Dist. restrs. and SS energy: 8.459 (S_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: 464
Temperature: 0.950000
Total energy: -2718.286851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.286851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.817225 (E_RNA)
where:
Base-Base interactions energy: -1925.404
where: short stacking energy: -753.815
Base-Backbone interact. energy: 0.561
local terms energy: -795.974613
where:
bonds (distance) C4'-P energy: -126.552
bonds (distance) P-C4' energy: -150.131
flat angles C4'-P-C4' energy: -163.827
flat angles P-C4'-P energy: -108.102
tors. eta vs tors. theta energy: -247.362
Dist. restrs. and SS energy: 2.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2670.834401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.834401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.887609 (E_RNA)
where:
Base-Base interactions energy: -1897.637
where: short stacking energy: -788.746
Base-Backbone interact. energy: -0.187
local terms energy: -779.063614
where:
bonds (distance) C4'-P energy: -136.937
bonds (distance) P-C4' energy: -118.038
flat angles C4'-P-C4' energy: -161.945
flat angles P-C4'-P energy: -117.719
tors. eta vs tors. theta energy: -244.424
Dist. restrs. and SS energy: 6.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2577.588571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.588571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.360734 (E_RNA)
where:
Base-Base interactions energy: -1846.362
where: short stacking energy: -763.571
Base-Backbone interact. energy: -1.908
local terms energy: -738.090619
where:
bonds (distance) C4'-P energy: -121.792
bonds (distance) P-C4' energy: -121.947
flat angles C4'-P-C4' energy: -155.094
flat angles P-C4'-P energy: -101.040
tors. eta vs tors. theta energy: -238.218
Dist. restrs. and SS energy: 8.772 (S_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: 464
Temperature: 1.100000
Total energy: -2472.664569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.664569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.105970 (E_RNA)
where:
Base-Base interactions energy: -1724.045
where: short stacking energy: -719.832
Base-Backbone interact. energy: -1.156
local terms energy: -759.904488
where:
bonds (distance) C4'-P energy: -126.859
bonds (distance) P-C4' energy: -133.701
flat angles C4'-P-C4' energy: -150.925
flat angles P-C4'-P energy: -116.351
tors. eta vs tors. theta energy: -232.069
Dist. restrs. and SS energy: 12.441 (S_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: 464
Temperature: 1.150000
Total energy: -2443.228859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.228859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.890340 (E_RNA)
where:
Base-Base interactions energy: -1722.553
where: short stacking energy: -701.436
Base-Backbone interact. energy: -3.141
local terms energy: -732.196469
where:
bonds (distance) C4'-P energy: -120.788
bonds (distance) P-C4' energy: -125.171
flat angles C4'-P-C4' energy: -154.400
flat angles P-C4'-P energy: -112.883
tors. eta vs tors. theta energy: -218.955
Dist. restrs. and SS energy: 14.661 (S_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: 464
Temperature: 1.200000
Total energy: -2341.365027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.365027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.835968 (E_RNA)
where:
Base-Base interactions energy: -1667.797
where: short stacking energy: -685.113
Base-Backbone interact. energy: -1.054
local terms energy: -675.985633
where:
bonds (distance) C4'-P energy: -108.327
bonds (distance) P-C4' energy: -105.125
flat angles C4'-P-C4' energy: -148.371
flat angles P-C4'-P energy: -99.665
tors. eta vs tors. theta energy: -214.497
Dist. restrs. and SS energy: 3.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2298.152917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.152917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.106092 (E_RNA)
where:
Base-Base interactions energy: -1643.052
where: short stacking energy: -667.504
Base-Backbone interact. energy: -1.151
local terms energy: -662.902712
where:
bonds (distance) C4'-P energy: -110.438
bonds (distance) P-C4' energy: -99.540
flat angles C4'-P-C4' energy: -144.116
flat angles P-C4'-P energy: -96.807
tors. eta vs tors. theta energy: -212.001
Dist. restrs. and SS energy: 8.953 (S_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: 464
Temperature: 1.300000
Total energy: -2160.855750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.855750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.941246 (E_RNA)
where:
Base-Base interactions energy: -1562.894
where: short stacking energy: -593.898
Base-Backbone interact. energy: -2.326
local terms energy: -604.720864
where:
bonds (distance) C4'-P energy: -108.947
bonds (distance) P-C4' energy: -108.721
flat angles C4'-P-C4' energy: -123.966
flat angles P-C4'-P energy: -80.024
tors. eta vs tors. theta energy: -183.062
Dist. restrs. and SS energy: 9.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -2015.466659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.466659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.075073 (E_RNA)
where:
Base-Base interactions energy: -1463.883
where: short stacking energy: -589.464
Base-Backbone interact. energy: -0.081
local terms energy: -567.110722
where:
bonds (distance) C4'-P energy: -88.978
bonds (distance) P-C4' energy: -95.525
flat angles C4'-P-C4' energy: -128.367
flat angles P-C4'-P energy: -76.734
tors. eta vs tors. theta energy: -177.507
Dist. restrs. and SS energy: 15.608 (S_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: 465
Temperature: 0.900000
Total energy: -2818.908044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.908044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.421494 (E_RNA)
where:
Base-Base interactions energy: -2006.371
where: short stacking energy: -814.954
Base-Backbone interact. energy: -1.118
local terms energy: -818.932398
where:
bonds (distance) C4'-P energy: -142.702
bonds (distance) P-C4' energy: -136.246
flat angles C4'-P-C4' energy: -171.765
flat angles P-C4'-P energy: -121.267
tors. eta vs tors. theta energy: -246.952
Dist. restrs. and SS energy: 7.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2722.425289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.425289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.349741 (E_RNA)
where:
Base-Base interactions energy: -1916.044
where: short stacking energy: -777.933
Base-Backbone interact. energy: -0.693
local terms energy: -809.612509
where:
bonds (distance) C4'-P energy: -135.418
bonds (distance) P-C4' energy: -143.168
flat angles C4'-P-C4' energy: -172.135
flat angles P-C4'-P energy: -113.840
tors. eta vs tors. theta energy: -245.051
Dist. restrs. and SS energy: 3.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2662.263287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.263287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.012421 (E_RNA)
where:
Base-Base interactions energy: -1888.231
where: short stacking energy: -779.044
Base-Backbone interact. energy: -1.945
local terms energy: -777.836685
where:
bonds (distance) C4'-P energy: -119.434
bonds (distance) P-C4' energy: -137.280
flat angles C4'-P-C4' energy: -159.441
flat angles P-C4'-P energy: -118.223
tors. eta vs tors. theta energy: -243.459
Dist. restrs. and SS energy: 5.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2578.827420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.827420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.584140 (E_RNA)
where:
Base-Base interactions energy: -1807.569
where: short stacking energy: -737.967
Base-Backbone interact. energy: -1.773
local terms energy: -778.241917
where:
bonds (distance) C4'-P energy: -138.127
bonds (distance) P-C4' energy: -131.480
flat angles C4'-P-C4' energy: -163.108
flat angles P-C4'-P energy: -110.225
tors. eta vs tors. theta energy: -235.301
Dist. restrs. and SS energy: 8.757 (S_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: 465
Temperature: 1.100000
Total energy: -2525.604685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.604685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.278673 (E_RNA)
where:
Base-Base interactions energy: -1800.126
where: short stacking energy: -719.111
Base-Backbone interact. energy: -3.814
local terms energy: -732.338170
where:
bonds (distance) C4'-P energy: -113.595
bonds (distance) P-C4' energy: -139.527
flat angles C4'-P-C4' energy: -145.171
flat angles P-C4'-P energy: -102.764
tors. eta vs tors. theta energy: -231.282
Dist. restrs. and SS energy: 10.674 (S_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: 465
Temperature: 1.150000
Total energy: -2389.870740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.870740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.541183 (E_RNA)
where:
Base-Base interactions energy: -1733.037
where: short stacking energy: -708.153
Base-Backbone interact. energy: -2.273
local terms energy: -657.231205
where:
bonds (distance) C4'-P energy: -93.019
bonds (distance) P-C4' energy: -108.124
flat angles C4'-P-C4' energy: -146.058
flat angles P-C4'-P energy: -101.561
tors. eta vs tors. theta energy: -208.470
Dist. restrs. and SS energy: 2.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2433.440040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.440040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.352158 (E_RNA)
where:
Base-Base interactions energy: -1743.769
where: short stacking energy: -689.825
Base-Backbone interact. energy: 0.122
local terms energy: -697.705313
where:
bonds (distance) C4'-P energy: -109.568
bonds (distance) P-C4' energy: -115.041
flat angles C4'-P-C4' energy: -158.791
flat angles P-C4'-P energy: -94.605
tors. eta vs tors. theta energy: -219.701
Dist. restrs. and SS energy: 7.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2274.900356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.900356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.106740 (E_RNA)
where:
Base-Base interactions energy: -1594.390
where: short stacking energy: -655.090
Base-Backbone interact. energy: 6.369
local terms energy: -695.085840
where:
bonds (distance) C4'-P energy: -112.765
bonds (distance) P-C4' energy: -125.920
flat angles C4'-P-C4' energy: -154.362
flat angles P-C4'-P energy: -95.874
tors. eta vs tors. theta energy: -206.165
Dist. restrs. and SS energy: 8.206 (S_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: 465
Temperature: 1.300000
Total energy: -2136.417078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.417078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.922907 (E_RNA)
where:
Base-Base interactions energy: -1535.444
where: short stacking energy: -627.293
Base-Backbone interact. energy: -1.363
local terms energy: -615.116193
where:
bonds (distance) C4'-P energy: -82.757
bonds (distance) P-C4' energy: -114.709
flat angles C4'-P-C4' energy: -128.736
flat angles P-C4'-P energy: -88.935
tors. eta vs tors. theta energy: -199.980
Dist. restrs. and SS energy: 15.506 (S_DIST_RNA)
chem. 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: -2005.508856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.508856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.826137 (E_RNA)
where:
Base-Base interactions energy: -1424.519
where: short stacking energy: -571.497
Base-Backbone interact. energy: -4.583
local terms energy: -590.723870
where:
bonds (distance) C4'-P energy: -102.222
bonds (distance) P-C4' energy: -110.845
flat angles C4'-P-C4' energy: -130.379
flat angles P-C4'-P energy: -75.982
tors. eta vs tors. theta energy: -171.296
Dist. restrs. and SS energy: 14.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2823.616412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.616412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.494455 (E_RNA)
where:
Base-Base interactions energy: -2000.334
where: short stacking energy: -821.476
Base-Backbone interact. energy: -2.730
local terms energy: -827.430856
where:
bonds (distance) C4'-P energy: -149.690
bonds (distance) P-C4' energy: -130.039
flat angles C4'-P-C4' energy: -168.252
flat angles P-C4'-P energy: -126.587
tors. eta vs tors. theta energy: -252.862
Dist. restrs. and SS energy: 6.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2710.825063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.825063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.046564 (E_RNA)
where:
Base-Base interactions energy: -1911.264
where: short stacking energy: -790.504
Base-Backbone interact. energy: -1.813
local terms energy: -800.969382
where:
bonds (distance) C4'-P energy: -130.989
bonds (distance) P-C4' energy: -148.915
flat angles C4'-P-C4' energy: -164.789
flat angles P-C4'-P energy: -112.066
tors. eta vs tors. theta energy: -244.211
Dist. restrs. and SS energy: 3.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2654.832925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.832925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.482228 (E_RNA)
where:
Base-Base interactions energy: -1857.592
where: short stacking energy: -785.928
Base-Backbone interact. energy: -3.947
local terms energy: -800.943472
where:
bonds (distance) C4'-P energy: -137.237
bonds (distance) P-C4' energy: -131.914
flat angles C4'-P-C4' energy: -167.523
flat angles P-C4'-P energy: -116.071
tors. eta vs tors. theta energy: -248.198
Dist. restrs. and SS energy: 7.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2561.236546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.236546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.513762 (E_RNA)
where:
Base-Base interactions energy: -1814.765
where: short stacking energy: -732.560
Base-Backbone interact. energy: 1.307
local terms energy: -755.055864
where:
bonds (distance) C4'-P energy: -139.058
bonds (distance) P-C4' energy: -134.462
flat angles C4'-P-C4' energy: -140.183
flat angles P-C4'-P energy: -108.371
tors. eta vs tors. theta energy: -232.981
Dist. restrs. and SS energy: 7.277 (S_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: 466
Temperature: 1.100000
Total energy: -2539.279969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.279969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.464638 (E_RNA)
where:
Base-Base interactions energy: -1798.700
where: short stacking energy: -741.207
Base-Backbone interact. energy: -1.171
local terms energy: -752.593340
where:
bonds (distance) C4'-P energy: -128.524
bonds (distance) P-C4' energy: -132.163
flat angles C4'-P-C4' energy: -146.916
flat angles P-C4'-P energy: -104.699
tors. eta vs tors. theta energy: -240.290
Dist. restrs. and SS energy: 13.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2380.841726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.841726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.318984 (E_RNA)
where:
Base-Base interactions energy: -1712.371
where: short stacking energy: -695.786
Base-Backbone interact. energy: -2.985
local terms energy: -667.963500
where:
bonds (distance) C4'-P energy: -103.045
bonds (distance) P-C4' energy: -111.098
flat angles C4'-P-C4' energy: -153.179
flat angles P-C4'-P energy: -93.931
tors. eta vs tors. theta energy: -206.711
Dist. restrs. and SS energy: 2.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2417.174276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.174276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.938015 (E_RNA)
where:
Base-Base interactions energy: -1719.500
where: short stacking energy: -707.577
Base-Backbone interact. energy: -0.814
local terms energy: -705.624519
where:
bonds (distance) C4'-P energy: -112.061
bonds (distance) P-C4' energy: -121.065
flat angles C4'-P-C4' energy: -151.713
flat angles P-C4'-P energy: -98.309
tors. eta vs tors. theta energy: -222.477
Dist. restrs. and SS energy: 8.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2303.304959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.304959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.963755 (E_RNA)
where:
Base-Base interactions energy: -1667.603
where: short stacking energy: -674.517
Base-Backbone interact. energy: 0.680
local terms energy: -641.040609
where:
bonds (distance) C4'-P energy: -127.872
bonds (distance) P-C4' energy: -81.461
flat angles C4'-P-C4' energy: -136.426
flat angles P-C4'-P energy: -91.447
tors. eta vs tors. theta energy: -203.834
Dist. restrs. and SS energy: 4.659 (S_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: 466
Temperature: 1.300000
Total energy: -2190.392397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.392397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.514067 (E_RNA)
where:
Base-Base interactions energy: -1565.581
where: short stacking energy: -630.854
Base-Backbone interact. energy: -3.102
local terms energy: -628.831251
where:
bonds (distance) C4'-P energy: -109.531
bonds (distance) P-C4' energy: -110.802
flat angles C4'-P-C4' energy: -130.031
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -189.014
Dist. restrs. and SS energy: 7.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1973.031998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.031998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.894598 (E_RNA)
where:
Base-Base interactions energy: -1416.695
where: short stacking energy: -547.667
Base-Backbone interact. energy: 3.581
local terms energy: -577.780975
where:
bonds (distance) C4'-P energy: -96.530
bonds (distance) P-C4' energy: -109.011
flat angles C4'-P-C4' energy: -122.294
flat angles P-C4'-P energy: -90.687
tors. eta vs tors. theta energy: -159.259
Dist. restrs. and SS energy: 17.863 (S_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: 467
Temperature: 0.900000
Total energy: -2851.769944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.769944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.446894 (E_RNA)
where:
Base-Base interactions energy: -2047.498
where: short stacking energy: -829.404
Base-Backbone interact. energy: -1.803
local terms energy: -809.145322
where:
bonds (distance) C4'-P energy: -141.633
bonds (distance) P-C4' energy: -140.888
flat angles C4'-P-C4' energy: -162.253
flat angles P-C4'-P energy: -116.939
tors. eta vs tors. theta energy: -247.433
Dist. restrs. and SS energy: 6.677 (S_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: 467
Temperature: 0.950000
Total energy: -2724.279123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.279123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.551485 (E_RNA)
where:
Base-Base interactions energy: -1943.264
where: short stacking energy: -783.970
Base-Backbone interact. energy: 0.119
local terms energy: -783.406633
where:
bonds (distance) C4'-P energy: -139.118
bonds (distance) P-C4' energy: -110.203
flat angles C4'-P-C4' energy: -167.334
flat angles P-C4'-P energy: -118.162
tors. eta vs tors. theta energy: -248.590
Dist. restrs. and SS energy: 2.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2645.288478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.288478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.890049 (E_RNA)
where:
Base-Base interactions energy: -1848.988
where: short stacking energy: -774.128
Base-Backbone interact. energy: -3.263
local terms energy: -798.639039
where:
bonds (distance) C4'-P energy: -140.621
bonds (distance) P-C4' energy: -143.030
flat angles C4'-P-C4' energy: -155.856
flat angles P-C4'-P energy: -121.327
tors. eta vs tors. theta energy: -237.805
Dist. restrs. and SS energy: 5.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2567.594208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.594208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.727351 (E_RNA)
where:
Base-Base interactions energy: -1824.074
where: short stacking energy: -749.841
Base-Backbone interact. energy: -0.054
local terms energy: -751.598573
where:
bonds (distance) C4'-P energy: -138.012
bonds (distance) P-C4' energy: -120.735
flat angles C4'-P-C4' energy: -156.336
flat angles P-C4'-P energy: -105.572
tors. eta vs tors. theta energy: -230.945
Dist. restrs. and SS energy: 8.133 (S_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: 467
Temperature: 1.100000
Total energy: -2501.116830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.116830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.252566 (E_RNA)
where:
Base-Base interactions energy: -1767.613
where: short stacking energy: -734.354
Base-Backbone interact. energy: -1.244
local terms energy: -744.396127
where:
bonds (distance) C4'-P energy: -127.958
bonds (distance) P-C4' energy: -124.819
flat angles C4'-P-C4' energy: -165.294
flat angles P-C4'-P energy: -99.561
tors. eta vs tors. theta energy: -226.765
Dist. restrs. and SS energy: 12.136 (S_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: 467
Temperature: 1.150000
Total energy: -2466.415261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.415261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.430841 (E_RNA)
where:
Base-Base interactions energy: -1737.516
where: short stacking energy: -707.501
Base-Backbone interact. energy: -2.064
local terms energy: -734.851404
where:
bonds (distance) C4'-P energy: -131.182
bonds (distance) P-C4' energy: -134.385
flat angles C4'-P-C4' energy: -149.849
flat angles P-C4'-P energy: -95.248
tors. eta vs tors. theta energy: -224.188
Dist. restrs. and SS energy: 8.016 (S_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: -2360.562625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.562625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.773960 (E_RNA)
where:
Base-Base interactions energy: -1692.812
where: short stacking energy: -678.397
Base-Backbone interact. energy: -3.996
local terms energy: -669.965975
where:
bonds (distance) C4'-P energy: -102.367
bonds (distance) P-C4' energy: -106.743
flat angles C4'-P-C4' energy: -156.414
flat angles P-C4'-P energy: -95.097
tors. eta vs tors. theta energy: -209.347
Dist. restrs. and SS energy: 6.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2246.890667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.890667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.973272 (E_RNA)
where:
Base-Base interactions energy: -1595.904
where: short stacking energy: -641.323
Base-Backbone interact. energy: -1.743
local terms energy: -653.326224
where:
bonds (distance) C4'-P energy: -100.707
bonds (distance) P-C4' energy: -122.033
flat angles C4'-P-C4' energy: -144.411
flat angles P-C4'-P energy: -89.881
tors. eta vs tors. theta energy: -196.294
Dist. restrs. and SS energy: 4.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -2137.981337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.981337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.047674 (E_RNA)
where:
Base-Base interactions energy: -1534.294
where: short stacking energy: -619.372
Base-Backbone interact. energy: -1.211
local terms energy: -608.542374
where:
bonds (distance) C4'-P energy: -112.707
bonds (distance) P-C4' energy: -101.916
flat angles C4'-P-C4' energy: -128.146
flat angles P-C4'-P energy: -88.838
tors. eta vs tors. theta energy: -176.935
Dist. restrs. and SS energy: 6.066 (S_DIST_RNA)
chem. 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: -2063.578596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.578596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.868636 (E_RNA)
where:
Base-Base interactions energy: -1502.083
where: short stacking energy: -593.418
Base-Backbone interact. energy: 3.840
local terms energy: -575.625820
where:
bonds (distance) C4'-P energy: -79.506
bonds (distance) P-C4' energy: -106.355
flat angles C4'-P-C4' energy: -129.829
flat angles P-C4'-P energy: -88.824
tors. eta vs tors. theta energy: -171.111
Dist. restrs. and SS energy: 10.290 (S_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: 468
Temperature: 0.900000
Total energy: -2815.268802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.268802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.886804 (E_RNA)
where:
Base-Base interactions energy: -2016.078
where: short stacking energy: -817.215
Base-Backbone interact. energy: 1.263
local terms energy: -807.071253
where:
bonds (distance) C4'-P energy: -118.513
bonds (distance) P-C4' energy: -145.755
flat angles C4'-P-C4' energy: -168.867
flat angles P-C4'-P energy: -121.331
tors. eta vs tors. theta energy: -252.605
Dist. restrs. and SS energy: 6.618 (S_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: 468
Temperature: 0.950000
Total energy: -2687.807357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.807357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.010245 (E_RNA)
where:
Base-Base interactions energy: -1921.745
where: short stacking energy: -791.354
Base-Backbone interact. energy: 0.494
local terms energy: -771.759411
where:
bonds (distance) C4'-P energy: -120.889
bonds (distance) P-C4' energy: -129.378
flat angles C4'-P-C4' energy: -165.672
flat angles P-C4'-P energy: -109.527
tors. eta vs tors. theta energy: -246.293
Dist. restrs. and SS energy: 5.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2658.411011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.411011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.105574 (E_RNA)
where:
Base-Base interactions energy: -1885.147
where: short stacking energy: -783.608
Base-Backbone interact. energy: 0.386
local terms energy: -781.344317
where:
bonds (distance) C4'-P energy: -126.848
bonds (distance) P-C4' energy: -135.596
flat angles C4'-P-C4' energy: -154.150
flat angles P-C4'-P energy: -115.341
tors. eta vs tors. theta energy: -249.410
Dist. restrs. and SS energy: 7.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2524.341362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.341362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.915450 (E_RNA)
where:
Base-Base interactions energy: -1808.323
where: short stacking energy: -746.253
Base-Backbone interact. energy: -2.551
local terms energy: -721.040515
where:
bonds (distance) C4'-P energy: -124.188
bonds (distance) P-C4' energy: -124.344
flat angles C4'-P-C4' energy: -153.639
flat angles P-C4'-P energy: -86.347
tors. eta vs tors. theta energy: -232.524
Dist. restrs. and SS energy: 7.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2499.630375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.630375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.981750 (E_RNA)
where:
Base-Base interactions energy: -1784.329
where: short stacking energy: -738.037
Base-Backbone interact. energy: 2.404
local terms energy: -725.056935
where:
bonds (distance) C4'-P energy: -125.060
bonds (distance) P-C4' energy: -131.066
flat angles C4'-P-C4' energy: -151.282
flat angles P-C4'-P energy: -86.038
tors. eta vs tors. theta energy: -231.611
Dist. restrs. and SS energy: 7.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2405.282576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.282576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.828371 (E_RNA)
where:
Base-Base interactions energy: -1726.253
where: short stacking energy: -704.609
Base-Backbone interact. energy: -2.542
local terms energy: -686.033573
where:
bonds (distance) C4'-P energy: -119.944
bonds (distance) P-C4' energy: -132.320
flat angles C4'-P-C4' energy: -134.754
flat angles P-C4'-P energy: -97.953
tors. eta vs tors. theta energy: -201.062
Dist. restrs. and SS energy: 9.546 (S_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: -2346.362011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.362011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.033996 (E_RNA)
where:
Base-Base interactions energy: -1653.681
where: short stacking energy: -664.603
Base-Backbone interact. energy: -1.296
local terms energy: -696.057369
where:
bonds (distance) C4'-P energy: -115.586
bonds (distance) P-C4' energy: -134.321
flat angles C4'-P-C4' energy: -142.621
flat angles P-C4'-P energy: -103.735
tors. eta vs tors. theta energy: -199.795
Dist. restrs. and SS energy: 4.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2265.007538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.007538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.713152 (E_RNA)
where:
Base-Base interactions energy: -1644.705
where: short stacking energy: -657.156
Base-Backbone interact. energy: -0.039
local terms energy: -624.969814
where:
bonds (distance) C4'-P energy: -103.854
bonds (distance) P-C4' energy: -92.504
flat angles C4'-P-C4' energy: -145.551
flat angles P-C4'-P energy: -86.940
tors. eta vs tors. theta energy: -196.121
Dist. restrs. and SS energy: 4.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -2081.707157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.707157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.959742 (E_RNA)
where:
Base-Base interactions energy: -1470.318
where: short stacking energy: -578.645
Base-Backbone interact. energy: -1.709
local terms energy: -618.932185
where:
bonds (distance) C4'-P energy: -104.580
bonds (distance) P-C4' energy: -109.004
flat angles C4'-P-C4' energy: -128.867
flat angles P-C4'-P energy: -91.771
tors. eta vs tors. theta energy: -184.710
Dist. restrs. and SS energy: 9.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -2080.510297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.510297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.772304 (E_RNA)
where:
Base-Base interactions energy: -1495.591
where: short stacking energy: -603.513
Base-Backbone interact. energy: -1.200
local terms energy: -591.981116
where:
bonds (distance) C4'-P energy: -123.715
bonds (distance) P-C4' energy: -96.343
flat angles C4'-P-C4' energy: -110.553
flat angles P-C4'-P energy: -82.450
tors. eta vs tors. theta energy: -178.920
Dist. restrs. and SS energy: 8.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2824.654103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.654103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.239242 (E_RNA)
where:
Base-Base interactions energy: -2004.281
where: short stacking energy: -813.436
Base-Backbone interact. energy: -4.428
local terms energy: -824.530108
where:
bonds (distance) C4'-P energy: -145.483
bonds (distance) P-C4' energy: -135.549
flat angles C4'-P-C4' energy: -168.985
flat angles P-C4'-P energy: -122.553
tors. eta vs tors. theta energy: -251.961
Dist. restrs. and SS energy: 8.585 (S_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: 469
Temperature: 0.950000
Total energy: -2674.395384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.395384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.564441 (E_RNA)
where:
Base-Base interactions energy: -1890.025
where: short stacking energy: -761.384
Base-Backbone interact. energy: -2.227
local terms energy: -786.311981
where:
bonds (distance) C4'-P energy: -128.197
bonds (distance) P-C4' energy: -144.668
flat angles C4'-P-C4' energy: -158.909
flat angles P-C4'-P energy: -109.588
tors. eta vs tors. theta energy: -244.950
Dist. restrs. and SS energy: 4.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2651.344611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.344611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.879914 (E_RNA)
where:
Base-Base interactions energy: -1897.166
where: short stacking energy: -784.095
Base-Backbone interact. energy: -1.573
local terms energy: -759.140974
where:
bonds (distance) C4'-P energy: -133.639
bonds (distance) P-C4' energy: -128.582
flat angles C4'-P-C4' energy: -150.301
flat angles P-C4'-P energy: -101.996
tors. eta vs tors. theta energy: -244.622
Dist. restrs. and SS energy: 6.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2588.740662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.740662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.152288 (E_RNA)
where:
Base-Base interactions energy: -1862.349
where: short stacking energy: -761.951
Base-Backbone interact. energy: -2.940
local terms energy: -734.862416
where:
bonds (distance) C4'-P energy: -125.839
bonds (distance) P-C4' energy: -116.484
flat angles C4'-P-C4' energy: -152.780
flat angles P-C4'-P energy: -97.381
tors. eta vs tors. theta energy: -242.378
Dist. restrs. and SS energy: 11.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2496.989258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.989258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.084457 (E_RNA)
where:
Base-Base interactions energy: -1757.957
where: short stacking energy: -708.557
Base-Backbone interact. energy: -3.750
local terms energy: -743.378136
where:
bonds (distance) C4'-P energy: -116.498
bonds (distance) P-C4' energy: -131.650
flat angles C4'-P-C4' energy: -147.414
flat angles P-C4'-P energy: -118.428
tors. eta vs tors. theta energy: -229.388
Dist. restrs. and SS energy: 8.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2459.840227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.840227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.195187 (E_RNA)
where:
Base-Base interactions energy: -1745.060
where: short stacking energy: -702.679
Base-Backbone interact. energy: -1.911
local terms energy: -720.223879
where:
bonds (distance) C4'-P energy: -116.949
bonds (distance) P-C4' energy: -121.470
flat angles C4'-P-C4' energy: -161.494
flat angles P-C4'-P energy: -102.767
tors. eta vs tors. theta energy: -217.545
Dist. restrs. and SS energy: 7.355 (S_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: -2362.205154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.205154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.005172 (E_RNA)
where:
Base-Base interactions energy: -1680.932
where: short stacking energy: -676.837
Base-Backbone interact. energy: -2.619
local terms energy: -682.453728
where:
bonds (distance) C4'-P energy: -116.994
bonds (distance) P-C4' energy: -113.781
flat angles C4'-P-C4' energy: -152.792
flat angles P-C4'-P energy: -88.103
tors. eta vs tors. theta energy: -210.784
Dist. restrs. and SS energy: 3.800 (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: 469
Temperature: 1.250000
Total energy: -2265.306596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.306596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.305497 (E_RNA)
where:
Base-Base interactions energy: -1616.380
where: short stacking energy: -641.661
Base-Backbone interact. energy: 0.518
local terms energy: -652.443468
where:
bonds (distance) C4'-P energy: -109.244
bonds (distance) P-C4' energy: -118.708
flat angles C4'-P-C4' energy: -136.040
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -196.738
Dist. restrs. and SS energy: 2.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -2121.009746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.009746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.574950 (E_RNA)
where:
Base-Base interactions energy: -1497.419
where: short stacking energy: -593.949
Base-Backbone interact. energy: -2.559
local terms energy: -629.597308
where:
bonds (distance) C4'-P energy: -122.505
bonds (distance) P-C4' energy: -109.265
flat angles C4'-P-C4' energy: -121.365
flat angles P-C4'-P energy: -89.411
tors. eta vs tors. theta energy: -187.051
Dist. restrs. and SS energy: 8.565 (S_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: 469
Temperature: 1.350000
Total energy: -2107.548359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.548359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.176061 (E_RNA)
where:
Base-Base interactions energy: -1516.875
where: short stacking energy: -622.217
Base-Backbone interact. energy: -3.824
local terms energy: -597.477105
where:
bonds (distance) C4'-P energy: -104.098
bonds (distance) P-C4' energy: -99.932
flat angles C4'-P-C4' energy: -123.983
flat angles P-C4'-P energy: -92.090
tors. eta vs tors. theta energy: -177.375
Dist. restrs. and SS energy: 10.628 (S_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: 470
Temperature: 0.900000
Total energy: -2820.311735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.311735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.898910 (E_RNA)
where:
Base-Base interactions energy: -2039.335
where: short stacking energy: -830.135
Base-Backbone interact. energy: 3.149
local terms energy: -789.713010
where:
bonds (distance) C4'-P energy: -133.061
bonds (distance) P-C4' energy: -124.287
flat angles C4'-P-C4' energy: -159.940
flat angles P-C4'-P energy: -121.558
tors. eta vs tors. theta energy: -250.867
Dist. restrs. and SS energy: 5.587 (S_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: 470
Temperature: 0.950000
Total energy: -2702.297707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.297707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.789300 (E_RNA)
where:
Base-Base interactions energy: -1890.129
where: short stacking energy: -769.453
Base-Backbone interact. energy: -3.601
local terms energy: -814.058937
where:
bonds (distance) C4'-P energy: -144.547
bonds (distance) P-C4' energy: -145.420
flat angles C4'-P-C4' energy: -163.083
flat angles P-C4'-P energy: -112.928
tors. eta vs tors. theta energy: -248.081
Dist. restrs. and SS energy: 5.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2656.462493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.462493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.588252 (E_RNA)
where:
Base-Base interactions energy: -1869.652
where: short stacking energy: -755.330
Base-Backbone interact. energy: -2.505
local terms energy: -792.431106
where:
bonds (distance) C4'-P energy: -138.204
bonds (distance) P-C4' energy: -127.679
flat angles C4'-P-C4' energy: -170.922
flat angles P-C4'-P energy: -108.712
tors. eta vs tors. theta energy: -246.914
Dist. restrs. and SS energy: 8.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2616.382798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.382798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.324678 (E_RNA)
where:
Base-Base interactions energy: -1863.362
where: short stacking energy: -783.531
Base-Backbone interact. energy: -0.200
local terms energy: -763.761883
where:
bonds (distance) C4'-P energy: -121.344
bonds (distance) P-C4' energy: -125.496
flat angles C4'-P-C4' energy: -162.109
flat angles P-C4'-P energy: -110.632
tors. eta vs tors. theta energy: -244.180
Dist. restrs. and SS energy: 10.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2500.215111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.215111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.757905 (E_RNA)
where:
Base-Base interactions energy: -1781.698
where: short stacking energy: -715.465
Base-Backbone interact. energy: -1.755
local terms energy: -732.304956
where:
bonds (distance) C4'-P energy: -126.229
bonds (distance) P-C4' energy: -126.772
flat angles C4'-P-C4' energy: -140.619
flat angles P-C4'-P energy: -108.385
tors. eta vs tors. theta energy: -230.300
Dist. restrs. and SS energy: 15.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2422.590672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.590672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.799394 (E_RNA)
where:
Base-Base interactions energy: -1713.539
where: short stacking energy: -676.156
Base-Backbone interact. energy: 4.143
local terms energy: -722.402919
where:
bonds (distance) C4'-P energy: -126.358
bonds (distance) P-C4' energy: -116.433
flat angles C4'-P-C4' energy: -154.660
flat angles P-C4'-P energy: -100.860
tors. eta vs tors. theta energy: -224.092
Dist. restrs. and SS energy: 9.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2314.541524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.541524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.567447 (E_RNA)
where:
Base-Base interactions energy: -1670.022
where: short stacking energy: -675.429
Base-Backbone interact. energy: -1.802
local terms energy: -646.743803
where:
bonds (distance) C4'-P energy: -106.756
bonds (distance) P-C4' energy: -105.636
flat angles C4'-P-C4' energy: -146.144
flat angles P-C4'-P energy: -96.653
tors. eta vs tors. theta energy: -191.555
Dist. restrs. and SS energy: 4.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2326.084167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.084167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.766104 (E_RNA)
where:
Base-Base interactions energy: -1647.398
where: short stacking energy: -653.883
Base-Backbone interact. energy: 1.183
local terms energy: -683.550930
where:
bonds (distance) C4'-P energy: -115.684
bonds (distance) P-C4' energy: -112.850
flat angles C4'-P-C4' energy: -159.775
flat angles P-C4'-P energy: -81.261
tors. eta vs tors. theta energy: -213.981
Dist. restrs. and SS energy: 3.682 (S_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: 470
Temperature: 1.300000
Total energy: -2185.307330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.307330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.677702 (E_RNA)
where:
Base-Base interactions energy: -1562.642
where: short stacking energy: -632.346
Base-Backbone interact. energy: -2.933
local terms energy: -627.103264
where:
bonds (distance) C4'-P energy: -112.963
bonds (distance) P-C4' energy: -94.882
flat angles C4'-P-C4' energy: -138.879
flat angles P-C4'-P energy: -95.242
tors. eta vs tors. theta energy: -185.138
Dist. restrs. and SS energy: 7.370 (S_DIST_RNA)
chem. 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: -2042.119381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.119381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.065723 (E_RNA)
where:
Base-Base interactions energy: -1470.274
where: short stacking energy: -597.286
Base-Backbone interact. energy: 0.856
local terms energy: -589.647334
where:
bonds (distance) C4'-P energy: -120.752
bonds (distance) P-C4' energy: -101.611
flat angles C4'-P-C4' energy: -123.115
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -165.656
Dist. restrs. and SS energy: 16.946 (S_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: 471
Temperature: 0.900000
Total energy: -2819.308527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.308527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.869689 (E_RNA)
where:
Base-Base interactions energy: -1986.910
where: short stacking energy: -799.474
Base-Backbone interact. energy: -0.298
local terms energy: -838.662083
where:
bonds (distance) C4'-P energy: -137.885
bonds (distance) P-C4' energy: -143.525
flat angles C4'-P-C4' energy: -175.295
flat angles P-C4'-P energy: -123.989
tors. eta vs tors. theta energy: -257.968
Dist. restrs. and SS energy: 6.561 (S_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: 471
Temperature: 0.950000
Total energy: -2698.895415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.895415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.193416 (E_RNA)
where:
Base-Base interactions energy: -1887.032
where: short stacking energy: -767.279
Base-Backbone interact. energy: -4.277
local terms energy: -811.884713
where:
bonds (distance) C4'-P energy: -130.900
bonds (distance) P-C4' energy: -160.364
flat angles C4'-P-C4' energy: -164.379
flat angles P-C4'-P energy: -105.318
tors. eta vs tors. theta energy: -250.924
Dist. restrs. and SS energy: 4.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2656.281359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.281359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.593676 (E_RNA)
where:
Base-Base interactions energy: -1881.945
where: short stacking energy: -771.950
Base-Backbone interact. energy: -2.726
local terms energy: -779.922711
where:
bonds (distance) C4'-P energy: -120.232
bonds (distance) P-C4' energy: -149.503
flat angles C4'-P-C4' energy: -163.292
flat angles P-C4'-P energy: -102.882
tors. eta vs tors. theta energy: -244.013
Dist. restrs. and SS energy: 8.312 (S_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: 471
Temperature: 1.050000
Total energy: -2577.164018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.164018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.652448 (E_RNA)
where:
Base-Base interactions energy: -1847.478
where: short stacking energy: -742.049
Base-Backbone interact. energy: 0.369
local terms energy: -745.543828
where:
bonds (distance) C4'-P energy: -136.137
bonds (distance) P-C4' energy: -128.224
flat angles C4'-P-C4' energy: -160.943
flat angles P-C4'-P energy: -92.472
tors. eta vs tors. theta energy: -227.768
Dist. restrs. and SS energy: 15.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2521.453546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.453546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.346530 (E_RNA)
where:
Base-Base interactions energy: -1779.354
where: short stacking energy: -744.390
Base-Backbone interact. energy: -1.045
local terms energy: -751.946953
where:
bonds (distance) C4'-P energy: -128.952
bonds (distance) P-C4' energy: -132.129
flat angles C4'-P-C4' energy: -152.648
flat angles P-C4'-P energy: -103.612
tors. eta vs tors. theta energy: -234.606
Dist. restrs. and SS energy: 10.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2417.656285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.656285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.926284 (E_RNA)
where:
Base-Base interactions energy: -1706.484
where: short stacking energy: -677.005
Base-Backbone interact. energy: -2.019
local terms energy: -713.423385
where:
bonds (distance) C4'-P energy: -129.171
bonds (distance) P-C4' energy: -124.746
flat angles C4'-P-C4' energy: -144.459
flat angles P-C4'-P energy: -102.894
tors. eta vs tors. theta energy: -212.154
Dist. restrs. and SS energy: 4.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2374.751196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.751196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.846400 (E_RNA)
where:
Base-Base interactions energy: -1694.537
where: short stacking energy: -664.798
Base-Backbone interact. energy: 0.862
local terms energy: -690.171628
where:
bonds (distance) C4'-P energy: -117.153
bonds (distance) P-C4' energy: -143.435
flat angles C4'-P-C4' energy: -149.283
flat angles P-C4'-P energy: -82.383
tors. eta vs tors. theta energy: -197.918
Dist. restrs. and SS energy: 9.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2336.874231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.874231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.316368 (E_RNA)
where:
Base-Base interactions energy: -1681.038
where: short stacking energy: -677.110
Base-Backbone interact. energy: 3.084
local terms energy: -662.363008
where:
bonds (distance) C4'-P energy: -111.667
bonds (distance) P-C4' energy: -98.609
flat angles C4'-P-C4' energy: -137.590
flat angles P-C4'-P energy: -98.306
tors. eta vs tors. theta energy: -216.191
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -2154.122012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.122012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.689518 (E_RNA)
where:
Base-Base interactions energy: -1552.024
where: short stacking energy: -612.363
Base-Backbone interact. energy: 1.258
local terms energy: -616.924020
where:
bonds (distance) C4'-P energy: -107.001
bonds (distance) P-C4' energy: -104.039
flat angles C4'-P-C4' energy: -130.832
flat angles P-C4'-P energy: -90.119
tors. eta vs tors. theta energy: -184.933
Dist. restrs. and SS energy: 13.568 (S_DIST_RNA)
chem. 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: -1981.540162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.540162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.953693 (E_RNA)
where:
Base-Base interactions energy: -1451.975
where: short stacking energy: -562.907
Base-Backbone interact. energy: 2.070
local terms energy: -548.048696
where:
bonds (distance) C4'-P energy: -82.651
bonds (distance) P-C4' energy: -107.900
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -79.908
tors. eta vs tors. theta energy: -164.532
Dist. restrs. and SS energy: 16.414 (S_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: 472
Temperature: 0.900000
Total energy: -2818.213888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.213888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.958732 (E_RNA)
where:
Base-Base interactions energy: -2002.099
where: short stacking energy: -817.628
Base-Backbone interact. energy: -1.212
local terms energy: -822.647572
where:
bonds (distance) C4'-P energy: -130.287
bonds (distance) P-C4' energy: -150.869
flat angles C4'-P-C4' energy: -172.229
flat angles P-C4'-P energy: -118.897
tors. eta vs tors. theta energy: -250.366
Dist. restrs. and SS energy: 7.745 (S_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: 472
Temperature: 0.950000
Total energy: -2724.190557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.190557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.404419 (E_RNA)
where:
Base-Base interactions energy: -1929.539
where: short stacking energy: -758.870
Base-Backbone interact. energy: -1.959
local terms energy: -796.906339
where:
bonds (distance) C4'-P energy: -132.310
bonds (distance) P-C4' energy: -143.142
flat angles C4'-P-C4' energy: -157.878
flat angles P-C4'-P energy: -121.205
tors. eta vs tors. theta energy: -242.371
Dist. restrs. and SS energy: 4.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2655.671086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.671086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.744547 (E_RNA)
where:
Base-Base interactions energy: -1883.579
where: short stacking energy: -765.710
Base-Backbone interact. energy: -1.254
local terms energy: -777.911176
where:
bonds (distance) C4'-P energy: -117.563
bonds (distance) P-C4' energy: -134.584
flat angles C4'-P-C4' energy: -169.246
flat angles P-C4'-P energy: -120.675
tors. eta vs tors. theta energy: -235.842
Dist. restrs. and SS energy: 7.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2578.378530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.378530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.430962 (E_RNA)
where:
Base-Base interactions energy: -1850.269
where: short stacking energy: -734.329
Base-Backbone interact. energy: -0.576
local terms energy: -737.586082
where:
bonds (distance) C4'-P energy: -101.839
bonds (distance) P-C4' energy: -142.655
flat angles C4'-P-C4' energy: -154.028
flat angles P-C4'-P energy: -114.276
tors. eta vs tors. theta energy: -224.788
Dist. restrs. and SS energy: 10.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2525.760040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.760040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.899275 (E_RNA)
where:
Base-Base interactions energy: -1821.662
where: short stacking energy: -742.607
Base-Backbone interact. energy: -3.037
local terms energy: -710.200797
where:
bonds (distance) C4'-P energy: -117.241
bonds (distance) P-C4' energy: -128.361
flat angles C4'-P-C4' energy: -137.248
flat angles P-C4'-P energy: -99.305
tors. eta vs tors. theta energy: -228.045
Dist. restrs. and SS energy: 9.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2414.973136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.973136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.377696 (E_RNA)
where:
Base-Base interactions energy: -1727.205
where: short stacking energy: -683.773
Base-Backbone interact. energy: -2.957
local terms energy: -691.214926
where:
bonds (distance) C4'-P energy: -117.284
bonds (distance) P-C4' energy: -120.967
flat angles C4'-P-C4' energy: -137.113
flat angles P-C4'-P energy: -91.747
tors. eta vs tors. theta energy: -224.105
Dist. restrs. and SS energy: 6.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2364.562111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.562111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.385586 (E_RNA)
where:
Base-Base interactions energy: -1684.506
where: short stacking energy: -672.193
Base-Backbone interact. energy: -0.108
local terms energy: -685.770799
where:
bonds (distance) C4'-P energy: -114.692
bonds (distance) P-C4' energy: -123.959
flat angles C4'-P-C4' energy: -136.942
flat angles P-C4'-P energy: -99.274
tors. eta vs tors. theta energy: -210.903
Dist. restrs. and SS energy: 5.823 (S_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: 472
Temperature: 1.250000
Total energy: -2314.394311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.394311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.612932 (E_RNA)
where:
Base-Base interactions energy: -1638.662
where: short stacking energy: -674.325
Base-Backbone interact. energy: -2.566
local terms energy: -677.384617
where:
bonds (distance) C4'-P energy: -117.474
bonds (distance) P-C4' energy: -119.870
flat angles C4'-P-C4' energy: -146.926
flat angles P-C4'-P energy: -94.577
tors. eta vs tors. theta energy: -198.538
Dist. restrs. and SS energy: 4.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -2146.332783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.332783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.224757 (E_RNA)
where:
Base-Base interactions energy: -1502.721
where: short stacking energy: -590.832
Base-Backbone interact. energy: -1.191
local terms energy: -652.313025
where:
bonds (distance) C4'-P energy: -103.415
bonds (distance) P-C4' energy: -119.199
flat angles C4'-P-C4' energy: -153.986
flat angles P-C4'-P energy: -89.532
tors. eta vs tors. theta energy: -186.182
Dist. restrs. and SS energy: 9.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -2011.569810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.569810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.832453 (E_RNA)
where:
Base-Base interactions energy: -1451.696
where: short stacking energy: -571.948
Base-Backbone interact. energy: 4.056
local terms energy: -581.193184
where:
bonds (distance) C4'-P energy: -101.628
bonds (distance) P-C4' energy: -115.734
flat angles C4'-P-C4' energy: -124.869
flat angles P-C4'-P energy: -72.139
tors. eta vs tors. theta energy: -166.824
Dist. restrs. and SS energy: 17.263 (S_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: 473
Temperature: 0.900000
Total energy: -2816.045700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.045700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.108460 (E_RNA)
where:
Base-Base interactions energy: -2013.677
where: short stacking energy: -797.732
Base-Backbone interact. energy: -3.785
local terms energy: -805.646153
where:
bonds (distance) C4'-P energy: -131.796
bonds (distance) P-C4' energy: -139.438
flat angles C4'-P-C4' energy: -170.122
flat angles P-C4'-P energy: -119.051
tors. eta vs tors. theta energy: -245.239
Dist. restrs. and SS energy: 7.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2691.751309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.751309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.544263 (E_RNA)
where:
Base-Base interactions energy: -1919.363
where: short stacking energy: -760.970
Base-Backbone interact. energy: -4.621
local terms energy: -771.560104
where:
bonds (distance) C4'-P energy: -130.486
bonds (distance) P-C4' energy: -132.358
flat angles C4'-P-C4' energy: -167.749
flat angles P-C4'-P energy: -100.720
tors. eta vs tors. theta energy: -240.247
Dist. restrs. and SS energy: 3.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2661.971596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.971596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.223720 (E_RNA)
where:
Base-Base interactions energy: -1871.066
where: short stacking energy: -769.775
Base-Backbone interact. energy: -3.879
local terms energy: -793.278355
where:
bonds (distance) C4'-P energy: -134.039
bonds (distance) P-C4' energy: -119.988
flat angles C4'-P-C4' energy: -161.009
flat angles P-C4'-P energy: -126.485
tors. eta vs tors. theta energy: -251.757
Dist. restrs. and SS energy: 6.252 (S_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: 473
Temperature: 1.050000
Total energy: -2579.691076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.691076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.819259 (E_RNA)
where:
Base-Base interactions energy: -1842.684
where: short stacking energy: -745.845
Base-Backbone interact. energy: -1.555
local terms energy: -746.579859
where:
bonds (distance) C4'-P energy: -117.625
bonds (distance) P-C4' energy: -106.051
flat angles C4'-P-C4' energy: -170.140
flat angles P-C4'-P energy: -113.349
tors. eta vs tors. theta energy: -239.415
Dist. restrs. and SS energy: 11.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2528.949749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.949749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.215203 (E_RNA)
where:
Base-Base interactions energy: -1785.632
where: short stacking energy: -722.201
Base-Backbone interact. energy: -0.438
local terms energy: -752.145271
where:
bonds (distance) C4'-P energy: -133.246
bonds (distance) P-C4' energy: -125.118
flat angles C4'-P-C4' energy: -155.010
flat angles P-C4'-P energy: -101.869
tors. eta vs tors. theta energy: -236.903
Dist. restrs. and SS energy: 9.265 (S_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: 473
Temperature: 1.150000
Total energy: -2412.676488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.676488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.892318 (E_RNA)
where:
Base-Base interactions energy: -1724.049
where: short stacking energy: -689.310
Base-Backbone interact. energy: -1.556
local terms energy: -695.286596
where:
bonds (distance) C4'-P energy: -115.986
bonds (distance) P-C4' energy: -132.376
flat angles C4'-P-C4' energy: -148.036
flat angles P-C4'-P energy: -76.925
tors. eta vs tors. theta energy: -221.963
Dist. restrs. and SS energy: 8.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2332.986329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.986329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.680073 (E_RNA)
where:
Base-Base interactions energy: -1674.542
where: short stacking energy: -658.656
Base-Backbone interact. energy: -2.378
local terms energy: -663.759122
where:
bonds (distance) C4'-P energy: -114.913
bonds (distance) P-C4' energy: -115.669
flat angles C4'-P-C4' energy: -151.144
flat angles P-C4'-P energy: -83.919
tors. eta vs tors. theta energy: -198.114
Dist. restrs. and SS energy: 7.694 (S_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: 473
Temperature: 1.250000
Total energy: -2284.094451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.094451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.408054 (E_RNA)
where:
Base-Base interactions energy: -1633.266
where: short stacking energy: -646.770
Base-Backbone interact. energy: -4.278
local terms energy: -654.864847
where:
bonds (distance) C4'-P energy: -90.561
bonds (distance) P-C4' energy: -113.074
flat angles C4'-P-C4' energy: -157.688
flat angles P-C4'-P energy: -88.729
tors. eta vs tors. theta energy: -204.813
Dist. restrs. and SS energy: 8.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -2125.077370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.077370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.152735 (E_RNA)
where:
Base-Base interactions energy: -1488.020
where: short stacking energy: -613.181
Base-Backbone interact. energy: -1.879
local terms energy: -646.254266
where:
bonds (distance) C4'-P energy: -119.047
bonds (distance) P-C4' energy: -129.973
flat angles C4'-P-C4' energy: -137.201
flat angles P-C4'-P energy: -76.500
tors. eta vs tors. theta energy: -183.533
Dist. restrs. and SS energy: 11.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -2048.238900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.238900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.662868 (E_RNA)
where:
Base-Base interactions energy: -1477.593
where: short stacking energy: -590.216
Base-Backbone interact. energy: -2.122
local terms energy: -575.947859
where:
bonds (distance) C4'-P energy: -94.291
bonds (distance) P-C4' energy: -105.446
flat angles C4'-P-C4' energy: -128.041
flat angles P-C4'-P energy: -70.598
tors. eta vs tors. theta energy: -177.571
Dist. restrs. and SS energy: 7.424 (S_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: 474
Temperature: 0.900000
Total energy: -2805.348282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.348282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.489220 (E_RNA)
where:
Base-Base interactions energy: -1983.179
where: short stacking energy: -811.710
Base-Backbone interact. energy: -2.748
local terms energy: -826.562675
where:
bonds (distance) C4'-P energy: -131.397
bonds (distance) P-C4' energy: -151.893
flat angles C4'-P-C4' energy: -173.124
flat angles P-C4'-P energy: -113.969
tors. eta vs tors. theta energy: -256.180
Dist. restrs. and SS energy: 7.141 (S_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: 474
Temperature: 0.950000
Total energy: -2722.139925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.139925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.531849 (E_RNA)
where:
Base-Base interactions energy: -1926.688
where: short stacking energy: -798.238
Base-Backbone interact. energy: -2.486
local terms energy: -797.358257
where:
bonds (distance) C4'-P energy: -127.115
bonds (distance) P-C4' energy: -130.301
flat angles C4'-P-C4' energy: -168.393
flat angles P-C4'-P energy: -121.330
tors. eta vs tors. theta energy: -250.219
Dist. restrs. and SS energy: 4.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2674.666745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.666745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.883969 (E_RNA)
where:
Base-Base interactions energy: -1883.176
where: short stacking energy: -789.356
Base-Backbone interact. energy: -2.313
local terms energy: -796.394691
where:
bonds (distance) C4'-P energy: -126.571
bonds (distance) P-C4' energy: -144.382
flat angles C4'-P-C4' energy: -160.429
flat angles P-C4'-P energy: -121.022
tors. eta vs tors. theta energy: -243.991
Dist. restrs. and SS energy: 7.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2580.108935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.108935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.885134 (E_RNA)
where:
Base-Base interactions energy: -1825.633
where: short stacking energy: -741.169
Base-Backbone interact. energy: -1.936
local terms energy: -763.316633
where:
bonds (distance) C4'-P energy: -120.447
bonds (distance) P-C4' energy: -145.827
flat angles C4'-P-C4' energy: -149.797
flat angles P-C4'-P energy: -110.346
tors. eta vs tors. theta energy: -236.899
Dist. restrs. and SS energy: 10.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2562.391203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.391203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.136431 (E_RNA)
where:
Base-Base interactions energy: -1816.032
where: short stacking energy: -746.968
Base-Backbone interact. energy: -3.762
local terms energy: -752.341850
where:
bonds (distance) C4'-P energy: -136.969
bonds (distance) P-C4' energy: -126.326
flat angles C4'-P-C4' energy: -146.879
flat angles P-C4'-P energy: -103.892
tors. eta vs tors. theta energy: -238.275
Dist. restrs. and SS energy: 9.745 (S_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: 474
Temperature: 1.150000
Total energy: -2367.842248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.842248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.449037 (E_RNA)
where:
Base-Base interactions energy: -1682.751
where: short stacking energy: -671.813
Base-Backbone interact. energy: 1.146
local terms energy: -691.844372
where:
bonds (distance) C4'-P energy: -128.286
bonds (distance) P-C4' energy: -122.036
flat angles C4'-P-C4' energy: -147.049
flat angles P-C4'-P energy: -83.537
tors. eta vs tors. theta energy: -210.936
Dist. restrs. and SS energy: 5.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2339.515961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.515961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.040981 (E_RNA)
where:
Base-Base interactions energy: -1714.512
where: short stacking energy: -685.034
Base-Backbone interact. energy: 2.492
local terms energy: -640.020256
where:
bonds (distance) C4'-P energy: -106.630
bonds (distance) P-C4' energy: -112.613
flat angles C4'-P-C4' energy: -127.375
flat angles P-C4'-P energy: -80.606
tors. eta vs tors. theta energy: -212.797
Dist. restrs. and SS energy: 12.525 (S_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: 474
Temperature: 1.250000
Total energy: -2359.187168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.187168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.730015 (E_RNA)
where:
Base-Base interactions energy: -1718.076
where: short stacking energy: -699.056
Base-Backbone interact. energy: 0.899
local terms energy: -649.553461
where:
bonds (distance) C4'-P energy: -105.899
bonds (distance) P-C4' energy: -107.721
flat angles C4'-P-C4' energy: -136.851
flat angles P-C4'-P energy: -89.478
tors. eta vs tors. theta energy: -209.604
Dist. restrs. and SS energy: 7.543 (S_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: 474
Temperature: 1.300000
Total energy: -2106.919501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.919501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.543563 (E_RNA)
where:
Base-Base interactions energy: -1501.915
where: short stacking energy: -640.057
Base-Backbone interact. energy: 0.662
local terms energy: -616.290038
where:
bonds (distance) C4'-P energy: -101.535
bonds (distance) P-C4' energy: -101.611
flat angles C4'-P-C4' energy: -137.625
flat angles P-C4'-P energy: -91.062
tors. eta vs tors. theta energy: -184.456
Dist. restrs. and SS energy: 10.624 (S_DIST_RNA)
chem. 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: -2077.683648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.683648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.225143 (E_RNA)
where:
Base-Base interactions energy: -1516.988
where: short stacking energy: -596.465
Base-Backbone interact. energy: 3.296
local terms energy: -572.533517
where:
bonds (distance) C4'-P energy: -100.131
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -116.454
flat angles P-C4'-P energy: -75.519
tors. eta vs tors. theta energy: -182.339
Dist. restrs. and SS energy: 8.541 (S_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: 475
Temperature: 0.900000
Total energy: -2796.369673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.369673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.410504 (E_RNA)
where:
Base-Base interactions energy: -1972.573
where: short stacking energy: -810.418
Base-Backbone interact. energy: -2.213
local terms energy: -828.623914
where:
bonds (distance) C4'-P energy: -148.701
bonds (distance) P-C4' energy: -138.254
flat angles C4'-P-C4' energy: -167.677
flat angles P-C4'-P energy: -122.103
tors. eta vs tors. theta energy: -251.888
Dist. restrs. and SS energy: 7.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2708.806420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.806420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.159208 (E_RNA)
where:
Base-Base interactions energy: -1906.057
where: short stacking energy: -768.664
Base-Backbone interact. energy: -2.995
local terms energy: -805.107493
where:
bonds (distance) C4'-P energy: -135.398
bonds (distance) P-C4' energy: -148.375
flat angles C4'-P-C4' energy: -167.433
flat angles P-C4'-P energy: -113.466
tors. eta vs tors. theta energy: -240.436
Dist. restrs. and SS energy: 5.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2670.278802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.278802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.102136 (E_RNA)
where:
Base-Base interactions energy: -1875.006
where: short stacking energy: -776.768
Base-Backbone interact. energy: -1.831
local terms energy: -801.264940
where:
bonds (distance) C4'-P energy: -129.259
bonds (distance) P-C4' energy: -133.827
flat angles C4'-P-C4' energy: -164.956
flat angles P-C4'-P energy: -117.194
tors. eta vs tors. theta energy: -256.030
Dist. restrs. and SS energy: 7.823 (S_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: 475
Temperature: 1.050000
Total energy: -2569.983054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.983054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.326460 (E_RNA)
where:
Base-Base interactions energy: -1833.715
where: short stacking energy: -742.105
Base-Backbone interact. energy: -2.784
local terms energy: -743.827741
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -131.322
flat angles C4'-P-C4' energy: -147.553
flat angles P-C4'-P energy: -115.196
tors. eta vs tors. theta energy: -232.079
Dist. restrs. and SS energy: 10.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2521.061844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.061844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.547135 (E_RNA)
where:
Base-Base interactions energy: -1802.340
where: short stacking energy: -722.882
Base-Backbone interact. energy: -2.124
local terms energy: -724.083223
where:
bonds (distance) C4'-P energy: -132.185
bonds (distance) P-C4' energy: -113.911
flat angles C4'-P-C4' energy: -157.105
flat angles P-C4'-P energy: -94.831
tors. eta vs tors. theta energy: -226.051
Dist. restrs. and SS energy: 7.485 (S_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: 475
Temperature: 1.150000
Total energy: -2427.644793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.644793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.280846 (E_RNA)
where:
Base-Base interactions energy: -1731.214
where: short stacking energy: -727.258
Base-Backbone interact. energy: -3.382
local terms energy: -699.684744
where:
bonds (distance) C4'-P energy: -121.730
bonds (distance) P-C4' energy: -114.698
flat angles C4'-P-C4' energy: -146.796
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -228.987
Dist. restrs. and SS energy: 6.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2365.968130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.968130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.864832 (E_RNA)
where:
Base-Base interactions energy: -1692.880
where: short stacking energy: -685.563
Base-Backbone interact. energy: -0.739
local terms energy: -681.246017
where:
bonds (distance) C4'-P energy: -100.609
bonds (distance) P-C4' energy: -117.596
flat angles C4'-P-C4' energy: -145.163
flat angles P-C4'-P energy: -103.749
tors. eta vs tors. theta energy: -214.128
Dist. restrs. and SS energy: 8.897 (S_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: 475
Temperature: 1.250000
Total energy: -2325.117354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.117354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.664346 (E_RNA)
where:
Base-Base interactions energy: -1675.149
where: short stacking energy: -669.040
Base-Backbone interact. energy: -1.006
local terms energy: -657.508603
where:
bonds (distance) C4'-P energy: -99.212
bonds (distance) P-C4' energy: -114.856
flat angles C4'-P-C4' energy: -131.876
flat angles P-C4'-P energy: -102.661
tors. eta vs tors. theta energy: -208.904
Dist. restrs. and SS energy: 8.547 (S_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: 475
Temperature: 1.300000
Total energy: -2130.441176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.441176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.794934 (E_RNA)
where:
Base-Base interactions energy: -1504.198
where: short stacking energy: -594.759
Base-Backbone interact. energy: -2.044
local terms energy: -630.552919
where:
bonds (distance) C4'-P energy: -113.683
bonds (distance) P-C4' energy: -113.064
flat angles C4'-P-C4' energy: -130.265
flat angles P-C4'-P energy: -96.796
tors. eta vs tors. theta energy: -176.744
Dist. restrs. and SS energy: 6.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -2038.037742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.037742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.269464 (E_RNA)
where:
Base-Base interactions energy: -1455.416
where: short stacking energy: -549.903
Base-Backbone interact. energy: 2.722
local terms energy: -594.574959
where:
bonds (distance) C4'-P energy: -123.419
bonds (distance) P-C4' energy: -104.943
flat angles C4'-P-C4' energy: -104.735
flat angles P-C4'-P energy: -81.692
tors. eta vs tors. theta energy: -179.785
Dist. restrs. and SS energy: 9.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2833.261125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.261125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.926269 (E_RNA)
where:
Base-Base interactions energy: -2000.759
where: short stacking energy: -826.259
Base-Backbone interact. energy: -2.558
local terms energy: -837.608743
where:
bonds (distance) C4'-P energy: -144.225
bonds (distance) P-C4' energy: -146.950
flat angles C4'-P-C4' energy: -168.421
flat angles P-C4'-P energy: -122.848
tors. eta vs tors. theta energy: -255.165
Dist. restrs. and SS energy: 7.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2695.704466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.704466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.210705 (E_RNA)
where:
Base-Base interactions energy: -1913.090
where: short stacking energy: -804.513
Base-Backbone interact. energy: -2.058
local terms energy: -784.062680
where:
bonds (distance) C4'-P energy: -126.806
bonds (distance) P-C4' energy: -132.964
flat angles C4'-P-C4' energy: -162.638
flat angles P-C4'-P energy: -113.183
tors. eta vs tors. theta energy: -248.471
Dist. restrs. and SS energy: 3.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2663.815863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.815863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.369126 (E_RNA)
where:
Base-Base interactions energy: -1878.452
where: short stacking energy: -773.986
Base-Backbone interact. energy: -4.104
local terms energy: -787.813874
where:
bonds (distance) C4'-P energy: -120.971
bonds (distance) P-C4' energy: -149.781
flat angles C4'-P-C4' energy: -163.439
flat angles P-C4'-P energy: -122.237
tors. eta vs tors. theta energy: -231.385
Dist. restrs. and SS energy: 6.553 (S_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: 476
Temperature: 1.050000
Total energy: -2600.819086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.819086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.556682 (E_RNA)
where:
Base-Base interactions energy: -1852.729
where: short stacking energy: -752.936
Base-Backbone interact. energy: -3.908
local terms energy: -749.919540
where:
bonds (distance) C4'-P energy: -130.859
bonds (distance) P-C4' energy: -120.764
flat angles C4'-P-C4' energy: -155.911
flat angles P-C4'-P energy: -112.688
tors. eta vs tors. theta energy: -229.698
Dist. restrs. and SS energy: 5.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2550.832699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.832699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.712601 (E_RNA)
where:
Base-Base interactions energy: -1815.652
where: short stacking energy: -752.156
Base-Backbone interact. energy: -3.492
local terms energy: -736.568904
where:
bonds (distance) C4'-P energy: -120.977
bonds (distance) P-C4' energy: -124.566
flat angles C4'-P-C4' energy: -155.604
flat angles P-C4'-P energy: -98.116
tors. eta vs tors. theta energy: -237.305
Dist. restrs. and SS energy: 4.880 (S_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: 476
Temperature: 1.150000
Total energy: -2415.428476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.428476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.116382 (E_RNA)
where:
Base-Base interactions energy: -1705.020
where: short stacking energy: -694.835
Base-Backbone interact. energy: -4.619
local terms energy: -710.477012
where:
bonds (distance) C4'-P energy: -135.130
bonds (distance) P-C4' energy: -125.483
flat angles C4'-P-C4' energy: -147.893
flat angles P-C4'-P energy: -83.779
tors. eta vs tors. theta energy: -218.192
Dist. restrs. and SS energy: 4.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2395.707686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.707686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.272980 (E_RNA)
where:
Base-Base interactions energy: -1723.601
where: short stacking energy: -680.316
Base-Backbone interact. energy: -3.684
local terms energy: -675.988296
where:
bonds (distance) C4'-P energy: -115.308
bonds (distance) P-C4' energy: -121.298
flat angles C4'-P-C4' energy: -132.432
flat angles P-C4'-P energy: -98.722
tors. eta vs tors. theta energy: -208.229
Dist. restrs. and SS energy: 7.565 (S_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: 476
Temperature: 1.250000
Total energy: -2325.504239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.504239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.341655 (E_RNA)
where:
Base-Base interactions energy: -1629.736
where: short stacking energy: -665.657
Base-Backbone interact. energy: -2.632
local terms energy: -696.972857
where:
bonds (distance) C4'-P energy: -104.307
bonds (distance) P-C4' energy: -128.371
flat angles C4'-P-C4' energy: -140.545
flat angles P-C4'-P energy: -111.836
tors. eta vs tors. theta energy: -211.915
Dist. restrs. and SS energy: 3.837 (S_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: 476
Temperature: 1.300000
Total energy: -2166.293237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.293237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.357695 (E_RNA)
where:
Base-Base interactions energy: -1549.841
where: short stacking energy: -622.529
Base-Backbone interact. energy: -0.521
local terms energy: -621.996450
where:
bonds (distance) C4'-P energy: -98.074
bonds (distance) P-C4' energy: -117.178
flat angles C4'-P-C4' energy: -132.286
flat angles P-C4'-P energy: -80.637
tors. eta vs tors. theta energy: -193.821
Dist. restrs. and SS energy: 6.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -2117.071146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.071146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.869124 (E_RNA)
where:
Base-Base interactions energy: -1539.265
where: short stacking energy: -640.268
Base-Backbone interact. energy: 0.104
local terms energy: -590.708653
where:
bonds (distance) C4'-P energy: -94.815
bonds (distance) P-C4' energy: -103.200
flat angles C4'-P-C4' energy: -121.304
flat angles P-C4'-P energy: -78.265
tors. eta vs tors. theta energy: -193.125
Dist. restrs. and SS energy: 12.798 (S_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: 477
Temperature: 0.900000
Total energy: -2816.801389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.801389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.530570 (E_RNA)
where:
Base-Base interactions energy: -2008.067
where: short stacking energy: -817.009
Base-Backbone interact. energy: -0.528
local terms energy: -815.935397
where:
bonds (distance) C4'-P energy: -132.852
bonds (distance) P-C4' energy: -138.893
flat angles C4'-P-C4' energy: -172.670
flat angles P-C4'-P energy: -115.369
tors. eta vs tors. theta energy: -256.151
Dist. restrs. and SS energy: 7.729 (S_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: 477
Temperature: 0.950000
Total energy: -2692.575858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.575858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.211957 (E_RNA)
where:
Base-Base interactions energy: -1888.832
where: short stacking energy: -772.538
Base-Backbone interact. energy: -3.875
local terms energy: -804.505227
where:
bonds (distance) C4'-P energy: -146.619
bonds (distance) P-C4' energy: -137.564
flat angles C4'-P-C4' energy: -167.819
flat angles P-C4'-P energy: -109.750
tors. eta vs tors. theta energy: -242.752
Dist. restrs. and SS energy: 4.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2645.669651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.669651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.092181 (E_RNA)
where:
Base-Base interactions energy: -1881.548
where: short stacking energy: -773.964
Base-Backbone interact. energy: -1.395
local terms energy: -769.148520
where:
bonds (distance) C4'-P energy: -134.436
bonds (distance) P-C4' energy: -129.739
flat angles C4'-P-C4' energy: -159.354
flat angles P-C4'-P energy: -110.611
tors. eta vs tors. theta energy: -235.010
Dist. restrs. and SS energy: 6.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2587.329320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.329320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.606269 (E_RNA)
where:
Base-Base interactions energy: -1849.062
where: short stacking energy: -754.383
Base-Backbone interact. energy: -3.453
local terms energy: -744.091829
where:
bonds (distance) C4'-P energy: -134.177
bonds (distance) P-C4' energy: -122.786
flat angles C4'-P-C4' energy: -155.781
flat angles P-C4'-P energy: -98.232
tors. eta vs tors. theta energy: -233.116
Dist. restrs. and SS energy: 9.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2539.602790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.602790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.686007 (E_RNA)
where:
Base-Base interactions energy: -1797.669
where: short stacking energy: -724.738
Base-Backbone interact. energy: -5.038
local terms energy: -740.979151
where:
bonds (distance) C4'-P energy: -125.408
bonds (distance) P-C4' energy: -129.070
flat angles C4'-P-C4' energy: -145.232
flat angles P-C4'-P energy: -109.247
tors. eta vs tors. theta energy: -232.022
Dist. restrs. and SS energy: 4.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2436.583081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.583081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.440195 (E_RNA)
where:
Base-Base interactions energy: -1720.959
where: short stacking energy: -690.002
Base-Backbone interact. energy: -2.543
local terms energy: -720.937755
where:
bonds (distance) C4'-P energy: -124.421
bonds (distance) P-C4' energy: -140.440
flat angles C4'-P-C4' energy: -145.859
flat angles P-C4'-P energy: -99.802
tors. eta vs tors. theta energy: -210.416
Dist. restrs. and SS energy: 7.857 (S_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: 477
Temperature: 1.200000
Total energy: -2330.898334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.898334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.553026 (E_RNA)
where:
Base-Base interactions energy: -1690.189
where: short stacking energy: -681.978
Base-Backbone interact. energy: 1.807
local terms energy: -651.170599
where:
bonds (distance) C4'-P energy: -91.097
bonds (distance) P-C4' energy: -101.869
flat angles C4'-P-C4' energy: -144.760
flat angles P-C4'-P energy: -100.482
tors. eta vs tors. theta energy: -212.963
Dist. restrs. and SS energy: 8.655 (S_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: 477
Temperature: 1.250000
Total energy: -2335.413857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.413857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.835404 (E_RNA)
where:
Base-Base interactions energy: -1681.262
where: short stacking energy: -672.323
Base-Backbone interact. energy: 0.283
local terms energy: -659.856860
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -110.918
flat angles C4'-P-C4' energy: -143.031
flat angles P-C4'-P energy: -96.295
tors. eta vs tors. theta energy: -211.572
Dist. restrs. and SS energy: 5.422 (S_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: 477
Temperature: 1.300000
Total energy: -2204.948669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.948669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.750191 (E_RNA)
where:
Base-Base interactions energy: -1597.735
where: short stacking energy: -667.556
Base-Backbone interact. energy: -1.791
local terms energy: -614.224010
where:
bonds (distance) C4'-P energy: -106.982
bonds (distance) P-C4' energy: -101.162
flat angles C4'-P-C4' energy: -113.008
flat angles P-C4'-P energy: -102.425
tors. eta vs tors. theta energy: -190.647
Dist. restrs. and SS energy: 8.802 (S_DIST_RNA)
chem. 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: -2098.621682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.621682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.599859 (E_RNA)
where:
Base-Base interactions energy: -1531.549
where: short stacking energy: -594.196
Base-Backbone interact. energy: 1.070
local terms energy: -574.120835
where:
bonds (distance) C4'-P energy: -113.315
bonds (distance) P-C4' energy: -100.971
flat angles C4'-P-C4' energy: -119.873
flat angles P-C4'-P energy: -66.152
tors. eta vs tors. theta energy: -173.810
Dist. restrs. and SS energy: 5.978 (S_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: 478
Temperature: 0.900000
Total energy: -2822.695168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.695168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.666990 (E_RNA)
where:
Base-Base interactions energy: -2003.062
where: short stacking energy: -818.348
Base-Backbone interact. energy: -2.000
local terms energy: -824.605373
where:
bonds (distance) C4'-P energy: -140.918
bonds (distance) P-C4' energy: -142.355
flat angles C4'-P-C4' energy: -168.190
flat angles P-C4'-P energy: -119.756
tors. eta vs tors. theta energy: -253.385
Dist. restrs. and SS energy: 6.972 (S_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: 478
Temperature: 0.950000
Total energy: -2698.373055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.373055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.315600 (E_RNA)
where:
Base-Base interactions energy: -1885.535
where: short stacking energy: -795.641
Base-Backbone interact. energy: -2.869
local terms energy: -813.912510
where:
bonds (distance) C4'-P energy: -131.161
bonds (distance) P-C4' energy: -157.899
flat angles C4'-P-C4' energy: -169.555
flat angles P-C4'-P energy: -111.093
tors. eta vs tors. theta energy: -244.206
Dist. restrs. and SS energy: 3.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2640.258458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.258458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.141911 (E_RNA)
where:
Base-Base interactions energy: -1867.634
where: short stacking energy: -771.544
Base-Backbone interact. energy: -0.583
local terms energy: -779.924908
where:
bonds (distance) C4'-P energy: -147.306
bonds (distance) P-C4' energy: -137.847
flat angles C4'-P-C4' energy: -161.470
flat angles P-C4'-P energy: -106.052
tors. eta vs tors. theta energy: -227.250
Dist. restrs. and SS energy: 7.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2583.176117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.176117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.674946 (E_RNA)
where:
Base-Base interactions energy: -1854.298
where: short stacking energy: -737.767
Base-Backbone interact. energy: -2.980
local terms energy: -735.396497
where:
bonds (distance) C4'-P energy: -126.448
bonds (distance) P-C4' energy: -130.905
flat angles C4'-P-C4' energy: -156.980
flat angles P-C4'-P energy: -99.018
tors. eta vs tors. theta energy: -222.045
Dist. restrs. and SS energy: 9.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2507.560330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.560330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.569639 (E_RNA)
where:
Base-Base interactions energy: -1799.432
where: short stacking energy: -756.795
Base-Backbone interact. energy: -1.464
local terms energy: -710.674071
where:
bonds (distance) C4'-P energy: -126.804
bonds (distance) P-C4' energy: -128.200
flat angles C4'-P-C4' energy: -143.258
flat angles P-C4'-P energy: -90.006
tors. eta vs tors. theta energy: -222.406
Dist. restrs. and SS energy: 4.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2405.938931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.938931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.188691 (E_RNA)
where:
Base-Base interactions energy: -1728.078
where: short stacking energy: -697.587
Base-Backbone interact. energy: -2.337
local terms energy: -683.773637
where:
bonds (distance) C4'-P energy: -121.479
bonds (distance) P-C4' energy: -119.871
flat angles C4'-P-C4' energy: -153.733
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -199.595
Dist. restrs. and SS energy: 8.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -2416.668800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.668800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.175400 (E_RNA)
where:
Base-Base interactions energy: -1709.077
where: short stacking energy: -708.482
Base-Backbone interact. energy: 2.189
local terms energy: -714.288139
where:
bonds (distance) C4'-P energy: -129.126
bonds (distance) P-C4' energy: -113.818
flat angles C4'-P-C4' energy: -153.191
flat angles P-C4'-P energy: -95.879
tors. eta vs tors. theta energy: -222.274
Dist. restrs. and SS energy: 4.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -2270.095336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.095336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.921914 (E_RNA)
where:
Base-Base interactions energy: -1606.427
where: short stacking energy: -620.702
Base-Backbone interact. energy: -2.146
local terms energy: -668.349230
where:
bonds (distance) C4'-P energy: -105.644
bonds (distance) P-C4' energy: -106.370
flat angles C4'-P-C4' energy: -157.132
flat angles P-C4'-P energy: -100.367
tors. eta vs tors. theta energy: -198.837
Dist. restrs. and SS energy: 6.827 (S_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: 478
Temperature: 1.300000
Total energy: -2217.079011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.079011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.987270 (E_RNA)
where:
Base-Base interactions energy: -1578.192
where: short stacking energy: -624.319
Base-Backbone interact. energy: 0.654
local terms energy: -649.448963
where:
bonds (distance) C4'-P energy: -124.408
bonds (distance) P-C4' energy: -105.687
flat angles C4'-P-C4' energy: -125.936
flat angles P-C4'-P energy: -90.717
tors. eta vs tors. theta energy: -202.701
Dist. restrs. and SS energy: 9.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -2101.421144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.421144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.822946 (E_RNA)
where:
Base-Base interactions energy: -1499.983
where: short stacking energy: -582.820
Base-Backbone interact. energy: 2.570
local terms energy: -617.409829
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -106.532
flat angles C4'-P-C4' energy: -144.341
flat angles P-C4'-P energy: -81.942
tors. eta vs tors. theta energy: -177.961
Dist. restrs. and SS energy: 13.402 (S_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: 479
Temperature: 0.900000
Total energy: -2796.308146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.308146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.720942 (E_RNA)
where:
Base-Base interactions energy: -1993.829
where: short stacking energy: -806.951
Base-Backbone interact. energy: -0.417
local terms energy: -810.475739
where:
bonds (distance) C4'-P energy: -140.245
bonds (distance) P-C4' energy: -139.577
flat angles C4'-P-C4' energy: -160.262
flat angles P-C4'-P energy: -113.731
tors. eta vs tors. theta energy: -256.660
Dist. restrs. and SS energy: 8.413 (S_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: 479
Temperature: 0.950000
Total energy: -2709.037715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.037715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.810176 (E_RNA)
where:
Base-Base interactions energy: -1905.508
where: short stacking energy: -795.880
Base-Backbone interact. energy: 0.624
local terms energy: -807.925625
where:
bonds (distance) C4'-P energy: -130.702
bonds (distance) P-C4' energy: -132.692
flat angles C4'-P-C4' energy: -170.862
flat angles P-C4'-P energy: -125.243
tors. eta vs tors. theta energy: -248.426
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2648.140152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.140152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.182871 (E_RNA)
where:
Base-Base interactions energy: -1885.001
where: short stacking energy: -778.421
Base-Backbone interact. energy: -2.410
local terms energy: -767.771952
where:
bonds (distance) C4'-P energy: -130.658
bonds (distance) P-C4' energy: -129.608
flat angles C4'-P-C4' energy: -156.278
flat angles P-C4'-P energy: -104.293
tors. eta vs tors. theta energy: -246.935
Dist. restrs. and SS energy: 7.043 (S_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: 479
Temperature: 1.050000
Total energy: -2588.223489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.223489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.356965 (E_RNA)
where:
Base-Base interactions energy: -1843.488
where: short stacking energy: -750.698
Base-Backbone interact. energy: -0.105
local terms energy: -753.763229
where:
bonds (distance) C4'-P energy: -137.553
bonds (distance) P-C4' energy: -130.415
flat angles C4'-P-C4' energy: -158.862
flat angles P-C4'-P energy: -105.313
tors. eta vs tors. theta energy: -221.619
Dist. restrs. and SS energy: 9.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2470.615976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.615976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.727445 (E_RNA)
where:
Base-Base interactions energy: -1749.432
where: short stacking energy: -702.041
Base-Backbone interact. energy: -2.987
local terms energy: -722.308534
where:
bonds (distance) C4'-P energy: -125.734
bonds (distance) P-C4' energy: -135.247
flat angles C4'-P-C4' energy: -145.482
flat angles P-C4'-P energy: -97.388
tors. eta vs tors. theta energy: -218.458
Dist. restrs. and SS energy: 4.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2428.567848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.567848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.649189 (E_RNA)
where:
Base-Base interactions energy: -1740.949
where: short stacking energy: -705.382
Base-Backbone interact. energy: -0.632
local terms energy: -694.068417
where:
bonds (distance) C4'-P energy: -103.868
bonds (distance) P-C4' energy: -132.419
flat angles C4'-P-C4' energy: -148.201
flat angles P-C4'-P energy: -97.225
tors. eta vs tors. theta energy: -212.356
Dist. restrs. and SS energy: 7.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2386.677561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.677561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.278509 (E_RNA)
where:
Base-Base interactions energy: -1709.732
where: short stacking energy: -699.758
Base-Backbone interact. energy: 0.764
local terms energy: -683.309813
where:
bonds (distance) C4'-P energy: -119.648
bonds (distance) P-C4' energy: -121.508
flat angles C4'-P-C4' energy: -137.875
flat angles P-C4'-P energy: -91.904
tors. eta vs tors. theta energy: -212.376
Dist. restrs. and SS energy: 5.601 (S_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: 479
Temperature: 1.250000
Total energy: -2263.723459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.723459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.639266 (E_RNA)
where:
Base-Base interactions energy: -1605.107
where: short stacking energy: -647.782
Base-Backbone interact. energy: -0.042
local terms energy: -665.490239
where:
bonds (distance) C4'-P energy: -127.880
bonds (distance) P-C4' energy: -119.246
flat angles C4'-P-C4' energy: -135.163
flat angles P-C4'-P energy: -90.630
tors. eta vs tors. theta energy: -192.572
Dist. restrs. and SS energy: 6.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -2210.940499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.940499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.564763 (E_RNA)
where:
Base-Base interactions energy: -1581.344
where: short stacking energy: -631.799
Base-Backbone interact. energy: 3.024
local terms energy: -643.244101
where:
bonds (distance) C4'-P energy: -105.523
bonds (distance) P-C4' energy: -104.575
flat angles C4'-P-C4' energy: -146.134
flat angles P-C4'-P energy: -83.632
tors. eta vs tors. theta energy: -203.381
Dist. restrs. and SS energy: 10.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -2113.335869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.335869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.424558 (E_RNA)
where:
Base-Base interactions energy: -1491.220
where: short stacking energy: -580.502
Base-Backbone interact. energy: -0.148
local terms energy: -631.056352
where:
bonds (distance) C4'-P energy: -96.435
bonds (distance) P-C4' energy: -125.448
flat angles C4'-P-C4' energy: -130.634
flat angles P-C4'-P energy: -94.970
tors. eta vs tors. theta energy: -183.569
Dist. restrs. and SS energy: 9.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2823.435782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.435782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.130946 (E_RNA)
where:
Base-Base interactions energy: -2004.963
where: short stacking energy: -820.091
Base-Backbone interact. energy: -1.196
local terms energy: -824.971325
where:
bonds (distance) C4'-P energy: -134.612
bonds (distance) P-C4' energy: -142.281
flat angles C4'-P-C4' energy: -177.278
flat angles P-C4'-P energy: -115.848
tors. eta vs tors. theta energy: -254.952
Dist. restrs. and SS energy: 7.695 (S_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: 480
Temperature: 0.950000
Total energy: -2696.753923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.753923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.830978 (E_RNA)
where:
Base-Base interactions energy: -1903.116
where: short stacking energy: -803.950
Base-Backbone interact. energy: -0.164
local terms energy: -800.550201
where:
bonds (distance) C4'-P energy: -135.044
bonds (distance) P-C4' energy: -146.210
flat angles C4'-P-C4' energy: -163.759
flat angles P-C4'-P energy: -105.356
tors. eta vs tors. theta energy: -250.181
Dist. restrs. and SS energy: 7.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2616.621108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.621108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.813137 (E_RNA)
where:
Base-Base interactions energy: -1860.806
where: short stacking energy: -743.995
Base-Backbone interact. energy: -4.454
local terms energy: -763.553408
where:
bonds (distance) C4'-P energy: -125.159
bonds (distance) P-C4' energy: -139.891
flat angles C4'-P-C4' energy: -172.051
flat angles P-C4'-P energy: -98.961
tors. eta vs tors. theta energy: -227.492
Dist. restrs. and SS energy: 12.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2596.983775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.983775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.574708 (E_RNA)
where:
Base-Base interactions energy: -1832.627
where: short stacking energy: -739.848
Base-Backbone interact. energy: -2.802
local terms energy: -769.145435
where:
bonds (distance) C4'-P energy: -131.902
bonds (distance) P-C4' energy: -120.747
flat angles C4'-P-C4' energy: -161.907
flat angles P-C4'-P energy: -118.603
tors. eta vs tors. theta energy: -235.987
Dist. restrs. and SS energy: 7.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2498.414896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.414896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.679662 (E_RNA)
where:
Base-Base interactions energy: -1805.683
where: short stacking energy: -749.847
Base-Backbone interact. energy: -0.351
local terms energy: -697.645456
where:
bonds (distance) C4'-P energy: -118.499
bonds (distance) P-C4' energy: -118.745
flat angles C4'-P-C4' energy: -140.809
flat angles P-C4'-P energy: -104.936
tors. eta vs tors. theta energy: -214.657
Dist. restrs. and SS energy: 5.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2452.242920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.242920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.015028 (E_RNA)
where:
Base-Base interactions energy: -1739.735
where: short stacking energy: -701.139
Base-Backbone interact. energy: -2.417
local terms energy: -718.863022
where:
bonds (distance) C4'-P energy: -112.155
bonds (distance) P-C4' energy: -132.304
flat angles C4'-P-C4' energy: -150.951
flat angles P-C4'-P energy: -101.827
tors. eta vs tors. theta energy: -221.626
Dist. restrs. and SS energy: 8.772 (S_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: -2417.362867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.362867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.118415 (E_RNA)
where:
Base-Base interactions energy: -1734.824
where: short stacking energy: -695.918
Base-Backbone interact. energy: -2.832
local terms energy: -684.462977
where:
bonds (distance) C4'-P energy: -95.311
bonds (distance) P-C4' energy: -128.604
flat angles C4'-P-C4' energy: -139.353
flat angles P-C4'-P energy: -102.791
tors. eta vs tors. theta energy: -218.404
Dist. restrs. and SS energy: 4.756 (S_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: 480
Temperature: 1.250000
Total energy: -2229.519803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.519803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.099691 (E_RNA)
where:
Base-Base interactions energy: -1609.039
where: short stacking energy: -633.006
Base-Backbone interact. energy: -0.336
local terms energy: -625.725179
where:
bonds (distance) C4'-P energy: -110.228
bonds (distance) P-C4' energy: -111.844
flat angles C4'-P-C4' energy: -137.534
flat angles P-C4'-P energy: -89.607
tors. eta vs tors. theta energy: -176.512
Dist. restrs. and SS energy: 5.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -2158.644430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.644430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.715334 (E_RNA)
where:
Base-Base interactions energy: -1547.244
where: short stacking energy: -607.880
Base-Backbone interact. energy: -1.142
local terms energy: -617.329015
where:
bonds (distance) C4'-P energy: -119.926
bonds (distance) P-C4' energy: -112.523
flat angles C4'-P-C4' energy: -123.873
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -189.617
Dist. restrs. and SS energy: 7.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -2130.362012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.362012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.520790 (E_RNA)
where:
Base-Base interactions energy: -1507.848
where: short stacking energy: -601.418
Base-Backbone interact. energy: -1.763
local terms energy: -632.909519
where:
bonds (distance) C4'-P energy: -107.571
bonds (distance) P-C4' energy: -113.940
flat angles C4'-P-C4' energy: -139.279
flat angles P-C4'-P energy: -86.151
tors. eta vs tors. theta energy: -185.969
Dist. restrs. and SS energy: 12.159 (S_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: 481
Temperature: 0.900000
Total energy: -2819.803872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.803872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.343541 (E_RNA)
where:
Base-Base interactions energy: -1995.960
where: short stacking energy: -843.564
Base-Backbone interact. energy: -1.810
local terms energy: -829.573018
where:
bonds (distance) C4'-P energy: -143.331
bonds (distance) P-C4' energy: -146.129
flat angles C4'-P-C4' energy: -165.951
flat angles P-C4'-P energy: -117.279
tors. eta vs tors. theta energy: -256.883
Dist. restrs. and SS energy: 7.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2691.517073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.517073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.991776 (E_RNA)
where:
Base-Base interactions energy: -1894.481
where: short stacking energy: -769.503
Base-Backbone interact. energy: -0.963
local terms energy: -805.547536
where:
bonds (distance) C4'-P energy: -143.011
bonds (distance) P-C4' energy: -133.158
flat angles C4'-P-C4' energy: -172.957
flat angles P-C4'-P energy: -116.366
tors. eta vs tors. theta energy: -240.055
Dist. restrs. and SS energy: 9.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2636.539073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.539073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.681837 (E_RNA)
where:
Base-Base interactions energy: -1883.006
where: short stacking energy: -764.981
Base-Backbone interact. energy: 0.646
local terms energy: -758.321738
where:
bonds (distance) C4'-P energy: -125.344
bonds (distance) P-C4' energy: -133.327
flat angles C4'-P-C4' energy: -158.193
flat angles P-C4'-P energy: -107.087
tors. eta vs tors. theta energy: -234.370
Dist. restrs. and SS energy: 4.143 (S_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: 481
Temperature: 1.050000
Total energy: -2623.082068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.082068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.482118 (E_RNA)
where:
Base-Base interactions energy: -1850.414
where: short stacking energy: -780.888
Base-Backbone interact. energy: -0.767
local terms energy: -781.300637
where:
bonds (distance) C4'-P energy: -131.843
bonds (distance) P-C4' energy: -132.265
flat angles C4'-P-C4' energy: -167.405
flat angles P-C4'-P energy: -98.966
tors. eta vs tors. theta energy: -250.823
Dist. restrs. and SS energy: 9.400 (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: 481
Temperature: 1.100000
Total energy: -2485.526394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.526394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.679734 (E_RNA)
where:
Base-Base interactions energy: -1763.062
where: short stacking energy: -715.553
Base-Backbone interact. energy: -2.894
local terms energy: -726.723955
where:
bonds (distance) C4'-P energy: -130.670
bonds (distance) P-C4' energy: -119.010
flat angles C4'-P-C4' energy: -141.008
flat angles P-C4'-P energy: -104.391
tors. eta vs tors. theta energy: -231.644
Dist. restrs. and SS energy: 7.153 (S_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: 481
Temperature: 1.150000
Total energy: -2468.311083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.311083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.028589 (E_RNA)
where:
Base-Base interactions energy: -1760.411
where: short stacking energy: -725.178
Base-Backbone interact. energy: -2.247
local terms energy: -709.371220
where:
bonds (distance) C4'-P energy: -116.740
bonds (distance) P-C4' energy: -112.096
flat angles C4'-P-C4' energy: -156.835
flat angles P-C4'-P energy: -98.481
tors. eta vs tors. theta energy: -225.219
Dist. restrs. and SS energy: 3.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2361.320375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.320375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.936136 (E_RNA)
where:
Base-Base interactions energy: -1685.873
where: short stacking energy: -665.848
Base-Backbone interact. energy: 0.122
local terms energy: -682.184894
where:
bonds (distance) C4'-P energy: -121.718
bonds (distance) P-C4' energy: -107.809
flat angles C4'-P-C4' energy: -149.649
flat angles P-C4'-P energy: -89.480
tors. eta vs tors. theta energy: -213.528
Dist. restrs. and SS energy: 6.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2218.698590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.698590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.888453 (E_RNA)
where:
Base-Base interactions energy: -1602.328
where: short stacking energy: -640.652
Base-Backbone interact. energy: -3.264
local terms energy: -625.296702
where:
bonds (distance) C4'-P energy: -95.700
bonds (distance) P-C4' energy: -111.361
flat angles C4'-P-C4' energy: -143.566
flat angles P-C4'-P energy: -76.279
tors. eta vs tors. theta energy: -198.392
Dist. restrs. and SS energy: 12.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -2164.518360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.518360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.429178 (E_RNA)
where:
Base-Base interactions energy: -1550.582
where: short stacking energy: -620.186
Base-Backbone interact. energy: -1.843
local terms energy: -621.004346
where:
bonds (distance) C4'-P energy: -106.744
bonds (distance) P-C4' energy: -135.520
flat angles C4'-P-C4' energy: -128.041
flat angles P-C4'-P energy: -73.199
tors. eta vs tors. theta energy: -177.501
Dist. restrs. and SS energy: 8.911 (S_DIST_RNA)
chem. 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: -2136.658194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.658194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.083721 (E_RNA)
where:
Base-Base interactions energy: -1518.428
where: short stacking energy: -612.577
Base-Backbone interact. energy: 1.729
local terms energy: -633.384132
where:
bonds (distance) C4'-P energy: -115.403
bonds (distance) P-C4' energy: -116.350
flat angles C4'-P-C4' energy: -129.812
flat angles P-C4'-P energy: -79.437
tors. eta vs tors. theta energy: -192.382
Dist. restrs. and SS energy: 13.426 (S_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: 482
Temperature: 0.900000
Total energy: -2842.880005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.880005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.358953 (E_RNA)
where:
Base-Base interactions energy: -1998.173
where: short stacking energy: -817.940
Base-Backbone interact. energy: -3.746
local terms energy: -847.439412
where:
bonds (distance) C4'-P energy: -148.312
bonds (distance) P-C4' energy: -145.095
flat angles C4'-P-C4' energy: -171.691
flat angles P-C4'-P energy: -125.586
tors. eta vs tors. theta energy: -256.756
Dist. restrs. and SS energy: 6.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2710.583408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.583408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.310546 (E_RNA)
where:
Base-Base interactions energy: -1925.676
where: short stacking energy: -793.986
Base-Backbone interact. energy: -2.332
local terms energy: -788.302123
where:
bonds (distance) C4'-P energy: -128.287
bonds (distance) P-C4' energy: -130.135
flat angles C4'-P-C4' energy: -169.791
flat angles P-C4'-P energy: -114.765
tors. eta vs tors. theta energy: -245.324
Dist. restrs. and SS energy: 5.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2689.799864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.799864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.599523 (E_RNA)
where:
Base-Base interactions energy: -1906.078
where: short stacking energy: -794.780
Base-Backbone interact. energy: -4.084
local terms energy: -783.438281
where:
bonds (distance) C4'-P energy: -131.622
bonds (distance) P-C4' energy: -137.048
flat angles C4'-P-C4' energy: -159.774
flat angles P-C4'-P energy: -104.337
tors. eta vs tors. theta energy: -250.657
Dist. restrs. and SS energy: 3.800 (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: 482
Temperature: 1.050000
Total energy: -2617.440233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.440233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.169239 (E_RNA)
where:
Base-Base interactions energy: -1830.337
where: short stacking energy: -734.817
Base-Backbone interact. energy: -4.860
local terms energy: -788.972669
where:
bonds (distance) C4'-P energy: -137.944
bonds (distance) P-C4' energy: -134.787
flat angles C4'-P-C4' energy: -157.188
flat angles P-C4'-P energy: -109.933
tors. eta vs tors. theta energy: -249.121
Dist. restrs. and SS energy: 6.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2505.750049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.750049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.294623 (E_RNA)
where:
Base-Base interactions energy: -1776.023
where: short stacking energy: -721.392
Base-Backbone interact. energy: -2.074
local terms energy: -731.197467
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -126.183
flat angles C4'-P-C4' energy: -149.086
flat angles P-C4'-P energy: -116.247
tors. eta vs tors. theta energy: -225.651
Dist. restrs. and SS energy: 3.545 (S_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: 482
Temperature: 1.150000
Total energy: -2476.940480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.940480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.728488 (E_RNA)
where:
Base-Base interactions energy: -1751.347
where: short stacking energy: -720.139
Base-Backbone interact. energy: -0.145
local terms energy: -732.236693
where:
bonds (distance) C4'-P energy: -118.875
bonds (distance) P-C4' energy: -114.194
flat angles C4'-P-C4' energy: -158.084
flat angles P-C4'-P energy: -108.432
tors. eta vs tors. theta energy: -232.652
Dist. restrs. and SS energy: 6.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2322.017736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.017736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.672521 (E_RNA)
where:
Base-Base interactions energy: -1695.646
where: short stacking energy: -684.260
Base-Backbone interact. energy: -0.588
local terms energy: -633.438075
where:
bonds (distance) C4'-P energy: -109.572
bonds (distance) P-C4' energy: -89.696
flat angles C4'-P-C4' energy: -149.167
flat angles P-C4'-P energy: -83.139
tors. eta vs tors. theta energy: -201.863
Dist. restrs. and SS energy: 7.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -2270.321899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.321899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.303761 (E_RNA)
where:
Base-Base interactions energy: -1656.834
where: short stacking energy: -647.330
Base-Backbone interact. energy: -0.446
local terms energy: -635.023464
where:
bonds (distance) C4'-P energy: -110.233
bonds (distance) P-C4' energy: -103.873
flat angles C4'-P-C4' energy: -130.845
flat angles P-C4'-P energy: -93.457
tors. eta vs tors. theta energy: -196.615
Dist. restrs. and SS energy: 21.982 (S_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: 482
Temperature: 1.300000
Total energy: -2170.992356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.992356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.189909 (E_RNA)
where:
Base-Base interactions energy: -1569.812
where: short stacking energy: -617.845
Base-Backbone interact. energy: 1.385
local terms energy: -610.762742
where:
bonds (distance) C4'-P energy: -115.591
bonds (distance) P-C4' energy: -115.653
flat angles C4'-P-C4' energy: -118.456
flat angles P-C4'-P energy: -85.784
tors. eta vs tors. theta energy: -175.279
Dist. restrs. and SS energy: 8.198 (S_DIST_RNA)
chem. 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: -2089.967808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.967808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.737329 (E_RNA)
where:
Base-Base interactions energy: -1470.720
where: short stacking energy: -580.685
Base-Backbone interact. energy: -2.050
local terms energy: -627.966915
where:
bonds (distance) C4'-P energy: -118.431
bonds (distance) P-C4' energy: -98.487
flat angles C4'-P-C4' energy: -138.659
flat angles P-C4'-P energy: -85.805
tors. eta vs tors. theta energy: -186.585
Dist. restrs. and SS energy: 10.770 (S_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: 483
Temperature: 0.900000
Total energy: -2828.770113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.770113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.255164 (E_RNA)
where:
Base-Base interactions energy: -1988.294
where: short stacking energy: -828.165
Base-Backbone interact. energy: -2.664
local terms energy: -846.297600
where:
bonds (distance) C4'-P energy: -136.182
bonds (distance) P-C4' energy: -153.224
flat angles C4'-P-C4' energy: -175.272
flat angles P-C4'-P energy: -127.256
tors. eta vs tors. theta energy: -254.364
Dist. restrs. and SS energy: 8.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2711.707214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.707214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.650453 (E_RNA)
where:
Base-Base interactions energy: -1934.601
where: short stacking energy: -790.657
Base-Backbone interact. energy: -0.600
local terms energy: -787.449671
where:
bonds (distance) C4'-P energy: -112.973
bonds (distance) P-C4' energy: -147.702
flat angles C4'-P-C4' energy: -166.606
flat angles P-C4'-P energy: -124.981
tors. eta vs tors. theta energy: -235.187
Dist. restrs. and SS energy: 10.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2686.449321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.449321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.137612 (E_RNA)
where:
Base-Base interactions energy: -1899.373
where: short stacking energy: -790.614
Base-Backbone interact. energy: -0.706
local terms energy: -788.058703
where:
bonds (distance) C4'-P energy: -125.976
bonds (distance) P-C4' energy: -134.187
flat angles C4'-P-C4' energy: -161.069
flat angles P-C4'-P energy: -121.424
tors. eta vs tors. theta energy: -245.403
Dist. restrs. and SS energy: 1.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2581.451008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.451008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.801830 (E_RNA)
where:
Base-Base interactions energy: -1828.727
where: short stacking energy: -755.997
Base-Backbone interact. energy: -1.263
local terms energy: -757.812265
where:
bonds (distance) C4'-P energy: -117.914
bonds (distance) P-C4' energy: -126.349
flat angles C4'-P-C4' energy: -162.558
flat angles P-C4'-P energy: -106.732
tors. eta vs tors. theta energy: -244.259
Dist. restrs. and SS energy: 6.351 (S_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: 483
Temperature: 1.100000
Total energy: -2532.761786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.761786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.093981 (E_RNA)
where:
Base-Base interactions energy: -1808.907
where: short stacking energy: -710.612
Base-Backbone interact. energy: -3.212
local terms energy: -726.974745
where:
bonds (distance) C4'-P energy: -127.519
bonds (distance) P-C4' energy: -116.908
flat angles C4'-P-C4' energy: -147.773
flat angles P-C4'-P energy: -108.109
tors. eta vs tors. theta energy: -226.666
Dist. restrs. and SS energy: 6.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2355.662045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.662045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.060557 (E_RNA)
where:
Base-Base interactions energy: -1692.421
where: short stacking energy: -670.229
Base-Backbone interact. energy: 1.065
local terms energy: -667.704259
where:
bonds (distance) C4'-P energy: -128.119
bonds (distance) P-C4' energy: -126.775
flat angles C4'-P-C4' energy: -138.658
flat angles P-C4'-P energy: -76.817
tors. eta vs tors. theta energy: -197.336
Dist. restrs. and SS energy: 3.399 (S_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: -2371.415790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.415790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.195359 (E_RNA)
where:
Base-Base interactions energy: -1691.221
where: short stacking energy: -689.018
Base-Backbone interact. energy: -3.245
local terms energy: -684.728976
where:
bonds (distance) C4'-P energy: -117.331
bonds (distance) P-C4' energy: -131.413
flat angles C4'-P-C4' energy: -136.489
flat angles P-C4'-P energy: -85.683
tors. eta vs tors. theta energy: -213.812
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -2248.960974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.960974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.808599 (E_RNA)
where:
Base-Base interactions energy: -1608.293
where: short stacking energy: -644.969
Base-Backbone interact. energy: -0.261
local terms energy: -659.255144
where:
bonds (distance) C4'-P energy: -129.336
bonds (distance) P-C4' energy: -98.591
flat angles C4'-P-C4' energy: -133.036
flat angles P-C4'-P energy: -91.469
tors. eta vs tors. theta energy: -206.824
Dist. restrs. and SS energy: 18.848 (S_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: 483
Temperature: 1.300000
Total energy: -2180.381827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.381827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.540711 (E_RNA)
where:
Base-Base interactions energy: -1558.552
where: short stacking energy: -618.744
Base-Backbone interact. energy: 8.927
local terms energy: -637.916005
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -114.928
flat angles C4'-P-C4' energy: -138.159
flat angles P-C4'-P energy: -94.902
tors. eta vs tors. theta energy: -179.750
Dist. restrs. and SS energy: 7.159 (S_DIST_RNA)
chem. 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: -2133.424613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.424613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.034997 (E_RNA)
where:
Base-Base interactions energy: -1540.053
where: short stacking energy: -618.283
Base-Backbone interact. energy: -0.215
local terms energy: -606.767599
where:
bonds (distance) C4'-P energy: -99.693
bonds (distance) P-C4' energy: -106.940
flat angles C4'-P-C4' energy: -126.921
flat angles P-C4'-P energy: -76.174
tors. eta vs tors. theta energy: -197.041
Dist. restrs. and SS energy: 13.610 (S_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: 484
Temperature: 0.900000
Total energy: -2793.766162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.766162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.868457 (E_RNA)
where:
Base-Base interactions energy: -2001.972
where: short stacking energy: -815.610
Base-Backbone interact. energy: -0.154
local terms energy: -800.742827
where:
bonds (distance) C4'-P energy: -135.099
bonds (distance) P-C4' energy: -126.737
flat angles C4'-P-C4' energy: -163.469
flat angles P-C4'-P energy: -123.136
tors. eta vs tors. theta energy: -252.303
Dist. restrs. and SS energy: 9.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2701.344779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.344779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.026230 (E_RNA)
where:
Base-Base interactions energy: -1935.891
where: short stacking energy: -768.877
Base-Backbone interact. energy: -0.528
local terms energy: -775.607821
where:
bonds (distance) C4'-P energy: -133.297
bonds (distance) P-C4' energy: -129.469
flat angles C4'-P-C4' energy: -159.386
flat angles P-C4'-P energy: -117.733
tors. eta vs tors. theta energy: -235.724
Dist. restrs. and SS energy: 10.681 (S_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: 484
Temperature: 1.000000
Total energy: -2663.035089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.035089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.915314 (E_RNA)
where:
Base-Base interactions energy: -1887.585
where: short stacking energy: -782.865
Base-Backbone interact. energy: -3.029
local terms energy: -775.301199
where:
bonds (distance) C4'-P energy: -128.680
bonds (distance) P-C4' energy: -130.852
flat angles C4'-P-C4' energy: -160.964
flat angles P-C4'-P energy: -105.605
tors. eta vs tors. theta energy: -249.200
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2591.611869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.611869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.005288 (E_RNA)
where:
Base-Base interactions energy: -1831.233
where: short stacking energy: -751.178
Base-Backbone interact. energy: -1.249
local terms energy: -763.522507
where:
bonds (distance) C4'-P energy: -124.758
bonds (distance) P-C4' energy: -140.726
flat angles C4'-P-C4' energy: -157.494
flat angles P-C4'-P energy: -101.474
tors. eta vs tors. theta energy: -239.072
Dist. restrs. and SS energy: 4.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2546.586504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.586504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.155542 (E_RNA)
where:
Base-Base interactions energy: -1831.627
where: short stacking energy: -737.535
Base-Backbone interact. energy: -4.582
local terms energy: -718.947156
where:
bonds (distance) C4'-P energy: -120.134
bonds (distance) P-C4' energy: -114.814
flat angles C4'-P-C4' energy: -148.442
flat angles P-C4'-P energy: -98.579
tors. eta vs tors. theta energy: -236.978
Dist. restrs. and SS energy: 8.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2386.687919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.687919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.092615 (E_RNA)
where:
Base-Base interactions energy: -1683.135
where: short stacking energy: -683.972
Base-Backbone interact. energy: -2.891
local terms energy: -705.066559
where:
bonds (distance) C4'-P energy: -117.637
bonds (distance) P-C4' energy: -129.241
flat angles C4'-P-C4' energy: -152.516
flat angles P-C4'-P energy: -101.559
tors. eta vs tors. theta energy: -204.113
Dist. restrs. and SS energy: 4.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2364.693669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.693669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.721569 (E_RNA)
where:
Base-Base interactions energy: -1682.569
where: short stacking energy: -679.818
Base-Backbone interact. energy: -0.456
local terms energy: -689.696548
where:
bonds (distance) C4'-P energy: -114.591
bonds (distance) P-C4' energy: -105.762
flat angles C4'-P-C4' energy: -150.329
flat angles P-C4'-P energy: -102.189
tors. eta vs tors. theta energy: -216.825
Dist. restrs. and SS energy: 8.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -2223.348624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.348624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.823861 (E_RNA)
where:
Base-Base interactions energy: -1604.747
where: short stacking energy: -641.157
Base-Backbone interact. energy: -0.948
local terms energy: -633.129108
where:
bonds (distance) C4'-P energy: -106.673
bonds (distance) P-C4' energy: -115.926
flat angles C4'-P-C4' energy: -137.865
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -205.826
Dist. restrs. and SS energy: 15.475 (S_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: 484
Temperature: 1.300000
Total energy: -2154.817847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.817847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.104654 (E_RNA)
where:
Base-Base interactions energy: -1543.174
where: short stacking energy: -626.384
Base-Backbone interact. energy: 3.710
local terms energy: -625.639709
where:
bonds (distance) C4'-P energy: -100.606
bonds (distance) P-C4' energy: -106.915
flat angles C4'-P-C4' energy: -140.288
flat angles P-C4'-P energy: -87.939
tors. eta vs tors. theta energy: -189.892
Dist. restrs. and SS energy: 10.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -2070.260280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.260280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.111773 (E_RNA)
where:
Base-Base interactions energy: -1507.825
where: short stacking energy: -614.755
Base-Backbone interact. energy: -3.263
local terms energy: -577.023843
where:
bonds (distance) C4'-P energy: -93.091
bonds (distance) P-C4' energy: -95.535
flat angles C4'-P-C4' energy: -110.500
flat angles P-C4'-P energy: -99.380
tors. eta vs tors. theta energy: -178.518
Dist. restrs. and SS energy: 17.851 (S_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: 485
Temperature: 0.900000
Total energy: -2816.807747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.807747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.736542 (E_RNA)
where:
Base-Base interactions energy: -1994.490
where: short stacking energy: -827.041
Base-Backbone interact. energy: -3.850
local terms energy: -825.396588
where:
bonds (distance) C4'-P energy: -151.662
bonds (distance) P-C4' energy: -152.247
flat angles C4'-P-C4' energy: -158.778
flat angles P-C4'-P energy: -114.948
tors. eta vs tors. theta energy: -247.762
Dist. restrs. and SS energy: 6.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2689.904145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.904145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.792666 (E_RNA)
where:
Base-Base interactions energy: -1913.760
where: short stacking energy: -786.606
Base-Backbone interact. energy: -1.576
local terms energy: -783.456342
where:
bonds (distance) C4'-P energy: -140.902
bonds (distance) P-C4' energy: -137.760
flat angles C4'-P-C4' energy: -149.824
flat angles P-C4'-P energy: -119.509
tors. eta vs tors. theta energy: -235.462
Dist. restrs. and SS energy: 8.889 (S_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: 485
Temperature: 1.000000
Total energy: -2662.841388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.841388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.335459 (E_RNA)
where:
Base-Base interactions energy: -1877.032
where: short stacking energy: -770.537
Base-Backbone interact. energy: -4.283
local terms energy: -786.020915
where:
bonds (distance) C4'-P energy: -130.282
bonds (distance) P-C4' energy: -145.234
flat angles C4'-P-C4' energy: -150.514
flat angles P-C4'-P energy: -113.959
tors. eta vs tors. theta energy: -246.031
Dist. restrs. and SS energy: 4.494 (S_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: 485
Temperature: 1.050000
Total energy: -2550.252671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.252671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.759731 (E_RNA)
where:
Base-Base interactions energy: -1806.838
where: short stacking energy: -727.554
Base-Backbone interact. energy: -1.511
local terms energy: -746.411081
where:
bonds (distance) C4'-P energy: -131.521
bonds (distance) P-C4' energy: -113.238
flat angles C4'-P-C4' energy: -165.034
flat angles P-C4'-P energy: -104.701
tors. eta vs tors. theta energy: -231.917
Dist. restrs. and SS energy: 4.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2513.211899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.211899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.142508 (E_RNA)
where:
Base-Base interactions energy: -1781.157
where: short stacking energy: -745.821
Base-Backbone interact. energy: -3.744
local terms energy: -737.241853
where:
bonds (distance) C4'-P energy: -123.286
bonds (distance) P-C4' energy: -123.100
flat angles C4'-P-C4' energy: -157.142
flat angles P-C4'-P energy: -92.991
tors. eta vs tors. theta energy: -240.722
Dist. restrs. and SS energy: 8.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2354.752834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.752834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.455000 (E_RNA)
where:
Base-Base interactions energy: -1681.644
where: short stacking energy: -681.150
Base-Backbone interact. energy: -0.915
local terms energy: -676.896328
where:
bonds (distance) C4'-P energy: -123.935
bonds (distance) P-C4' energy: -116.744
flat angles C4'-P-C4' energy: -150.677
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -190.301
Dist. restrs. and SS energy: 4.702 (S_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: -2405.180152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.180152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.513131 (E_RNA)
where:
Base-Base interactions energy: -1719.272
where: short stacking energy: -678.771
Base-Backbone interact. energy: -1.260
local terms energy: -690.981654
where:
bonds (distance) C4'-P energy: -116.903
bonds (distance) P-C4' energy: -107.636
flat angles C4'-P-C4' energy: -143.090
flat angles P-C4'-P energy: -108.986
tors. eta vs tors. theta energy: -214.366
Dist. restrs. and SS energy: 6.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -2217.053777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.053777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.485975 (E_RNA)
where:
Base-Base interactions energy: -1604.783
where: short stacking energy: -645.191
Base-Backbone interact. energy: -0.578
local terms energy: -624.124948
where:
bonds (distance) C4'-P energy: -93.451
bonds (distance) P-C4' energy: -105.175
flat angles C4'-P-C4' energy: -138.094
flat angles P-C4'-P energy: -88.018
tors. eta vs tors. theta energy: -199.387
Dist. restrs. and SS energy: 12.432 (S_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: 485
Temperature: 1.300000
Total energy: -2190.371867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.371867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.633222 (E_RNA)
where:
Base-Base interactions energy: -1599.608
where: short stacking energy: -651.304
Base-Backbone interact. energy: 4.030
local terms energy: -600.055241
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -109.024
flat angles C4'-P-C4' energy: -122.732
flat angles P-C4'-P energy: -80.617
tors. eta vs tors. theta energy: -188.437
Dist. restrs. and SS energy: 5.261 (S_DIST_RNA)
chem. 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: -2113.526979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.526979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.851941 (E_RNA)
where:
Base-Base interactions energy: -1532.523
where: short stacking energy: -624.332
Base-Backbone interact. energy: 2.586
local terms energy: -599.915180
where:
bonds (distance) C4'-P energy: -92.286
bonds (distance) P-C4' energy: -124.349
flat angles C4'-P-C4' energy: -126.557
flat angles P-C4'-P energy: -64.428
tors. eta vs tors. theta energy: -192.296
Dist. restrs. and SS energy: 16.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2841.162697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.162697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.989533 (E_RNA)
where:
Base-Base interactions energy: -1991.722
where: short stacking energy: -823.773
Base-Backbone interact. energy: -3.026
local terms energy: -854.242093
where:
bonds (distance) C4'-P energy: -142.220
bonds (distance) P-C4' energy: -152.325
flat angles C4'-P-C4' energy: -172.589
flat angles P-C4'-P energy: -127.421
tors. eta vs tors. theta energy: -259.687
Dist. restrs. and SS energy: 7.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2692.296401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.296401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.735448 (E_RNA)
where:
Base-Base interactions energy: -1915.843
where: short stacking energy: -774.463
Base-Backbone interact. energy: -1.613
local terms energy: -783.279632
where:
bonds (distance) C4'-P energy: -117.663
bonds (distance) P-C4' energy: -147.529
flat angles C4'-P-C4' energy: -160.652
flat angles P-C4'-P energy: -126.764
tors. eta vs tors. theta energy: -230.672
Dist. restrs. and SS energy: 8.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2666.582665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.582665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.919722 (E_RNA)
where:
Base-Base interactions energy: -1895.671
where: short stacking energy: -773.286
Base-Backbone interact. energy: 0.043
local terms energy: -775.292259
where:
bonds (distance) C4'-P energy: -127.999
bonds (distance) P-C4' energy: -135.627
flat angles C4'-P-C4' energy: -158.801
flat angles P-C4'-P energy: -107.706
tors. eta vs tors. theta energy: -245.159
Dist. restrs. and SS energy: 4.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2572.019525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.019525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.289250 (E_RNA)
where:
Base-Base interactions energy: -1806.791
where: short stacking energy: -737.204
Base-Backbone interact. energy: -2.166
local terms energy: -768.332444
where:
bonds (distance) C4'-P energy: -141.819
bonds (distance) P-C4' energy: -124.732
flat angles C4'-P-C4' energy: -164.584
flat angles P-C4'-P energy: -103.272
tors. eta vs tors. theta energy: -233.925
Dist. restrs. and SS energy: 5.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2512.750382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.750382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.046119 (E_RNA)
where:
Base-Base interactions energy: -1778.112
where: short stacking energy: -731.469
Base-Backbone interact. energy: -1.525
local terms energy: -736.409217
where:
bonds (distance) C4'-P energy: -127.695
bonds (distance) P-C4' energy: -118.530
flat angles C4'-P-C4' energy: -156.440
flat angles P-C4'-P energy: -104.960
tors. eta vs tors. theta energy: -228.783
Dist. restrs. and SS energy: 3.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2355.736974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.736974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.407439 (E_RNA)
where:
Base-Base interactions energy: -1652.088
where: short stacking energy: -685.724
Base-Backbone interact. energy: -3.619
local terms energy: -705.700138
where:
bonds (distance) C4'-P energy: -116.172
bonds (distance) P-C4' energy: -132.415
flat angles C4'-P-C4' energy: -149.021
flat angles P-C4'-P energy: -104.686
tors. eta vs tors. theta energy: -203.406
Dist. restrs. and SS energy: 5.670 (S_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: 486
Temperature: 1.200000
Total energy: -2361.715864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.715864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.867508 (E_RNA)
where:
Base-Base interactions energy: -1675.417
where: short stacking energy: -693.372
Base-Backbone interact. energy: 0.839
local terms energy: -694.289107
where:
bonds (distance) C4'-P energy: -115.770
bonds (distance) P-C4' energy: -116.937
flat angles C4'-P-C4' energy: -151.443
flat angles P-C4'-P energy: -95.208
tors. eta vs tors. theta energy: -214.931
Dist. restrs. and SS energy: 7.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -2274.890989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.890989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.725842 (E_RNA)
where:
Base-Base interactions energy: -1628.771
where: short stacking energy: -664.041
Base-Backbone interact. energy: -0.258
local terms energy: -657.695925
where:
bonds (distance) C4'-P energy: -107.285
bonds (distance) P-C4' energy: -109.653
flat angles C4'-P-C4' energy: -139.322
flat angles P-C4'-P energy: -92.847
tors. eta vs tors. theta energy: -208.588
Dist. restrs. and SS energy: 11.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -2180.189355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.189355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.167813 (E_RNA)
where:
Base-Base interactions energy: -1571.164
where: short stacking energy: -611.183
Base-Backbone interact. energy: -0.185
local terms energy: -613.818377
where:
bonds (distance) C4'-P energy: -112.976
bonds (distance) P-C4' energy: -88.396
flat angles C4'-P-C4' energy: -130.519
flat angles P-C4'-P energy: -86.490
tors. eta vs tors. theta energy: -195.436
Dist. restrs. and SS energy: 4.978 (S_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: 486
Temperature: 1.350000
Total energy: -2104.770394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.770394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.805475 (E_RNA)
where:
Base-Base interactions energy: -1538.175
where: short stacking energy: -602.141
Base-Backbone interact. energy: -1.492
local terms energy: -575.138517
where:
bonds (distance) C4'-P energy: -77.959
bonds (distance) P-C4' energy: -121.530
flat angles C4'-P-C4' energy: -134.464
flat angles P-C4'-P energy: -67.873
tors. eta vs tors. theta energy: -173.312
Dist. restrs. and SS energy: 10.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2824.606584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.959978 (E_RNA)
where:
Base-Base interactions energy: -2013.593
where: short stacking energy: -817.008
Base-Backbone interact. energy: -4.364
local terms energy: -814.003515
where:
bonds (distance) C4'-P energy: -137.547
bonds (distance) P-C4' energy: -146.614
flat angles C4'-P-C4' energy: -159.047
flat angles P-C4'-P energy: -120.709
tors. eta vs tors. theta energy: -250.087
Dist. restrs. and SS energy: 7.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2717.108254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.108254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.707355 (E_RNA)
where:
Base-Base interactions energy: -1931.527
where: short stacking energy: -778.706
Base-Backbone interact. energy: -3.431
local terms energy: -791.749480
where:
bonds (distance) C4'-P energy: -139.712
bonds (distance) P-C4' energy: -129.509
flat angles C4'-P-C4' energy: -161.168
flat angles P-C4'-P energy: -121.488
tors. eta vs tors. theta energy: -239.872
Dist. restrs. and SS energy: 9.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2679.440566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.440566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.875858 (E_RNA)
where:
Base-Base interactions energy: -1903.248
where: short stacking energy: -795.217
Base-Backbone interact. energy: -3.843
local terms energy: -774.785063
where:
bonds (distance) C4'-P energy: -136.471
bonds (distance) P-C4' energy: -135.698
flat angles C4'-P-C4' energy: -155.737
flat angles P-C4'-P energy: -106.654
tors. eta vs tors. theta energy: -240.224
Dist. restrs. and SS energy: 2.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2594.436935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.436935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.257457 (E_RNA)
where:
Base-Base interactions energy: -1840.166
where: short stacking energy: -742.560
Base-Backbone interact. energy: -0.681
local terms energy: -758.410804
where:
bonds (distance) C4'-P energy: -118.202
bonds (distance) P-C4' energy: -125.823
flat angles C4'-P-C4' energy: -165.259
flat angles P-C4'-P energy: -114.201
tors. eta vs tors. theta energy: -234.925
Dist. restrs. and SS energy: 4.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2511.461323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.461323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.538430 (E_RNA)
where:
Base-Base interactions energy: -1774.239
where: short stacking energy: -745.623
Base-Backbone interact. energy: -2.191
local terms energy: -739.108585
where:
bonds (distance) C4'-P energy: -124.310
bonds (distance) P-C4' energy: -133.596
flat angles C4'-P-C4' energy: -149.566
flat angles P-C4'-P energy: -101.826
tors. eta vs tors. theta energy: -229.811
Dist. restrs. and SS energy: 4.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2446.867963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.867963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.249571 (E_RNA)
where:
Base-Base interactions energy: -1747.565
where: short stacking energy: -718.447
Base-Backbone interact. energy: 2.698
local terms energy: -710.382794
where:
bonds (distance) C4'-P energy: -114.179
bonds (distance) P-C4' energy: -114.893
flat angles C4'-P-C4' energy: -159.907
flat angles P-C4'-P energy: -101.777
tors. eta vs tors. theta energy: -219.627
Dist. restrs. and SS energy: 8.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2302.355188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.355188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.265532 (E_RNA)
where:
Base-Base interactions energy: -1645.015
where: short stacking energy: -658.108
Base-Backbone interact. energy: -1.140
local terms energy: -660.110489
where:
bonds (distance) C4'-P energy: -108.494
bonds (distance) P-C4' energy: -130.727
flat angles C4'-P-C4' energy: -133.512
flat angles P-C4'-P energy: -81.875
tors. eta vs tors. theta energy: -205.502
Dist. restrs. and SS energy: 3.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -2231.045747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.045747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.832867 (E_RNA)
where:
Base-Base interactions energy: -1603.309
where: short stacking energy: -652.859
Base-Backbone interact. energy: -2.232
local terms energy: -642.291857
where:
bonds (distance) C4'-P energy: -119.197
bonds (distance) P-C4' energy: -108.835
flat angles C4'-P-C4' energy: -139.329
flat angles P-C4'-P energy: -75.254
tors. eta vs tors. theta energy: -199.677
Dist. restrs. and SS energy: 16.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -2247.904726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.904726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.464302 (E_RNA)
where:
Base-Base interactions energy: -1595.933
where: short stacking energy: -641.653
Base-Backbone interact. energy: -1.215
local terms energy: -659.315963
where:
bonds (distance) C4'-P energy: -116.777
bonds (distance) P-C4' energy: -120.934
flat angles C4'-P-C4' energy: -125.555
flat angles P-C4'-P energy: -88.265
tors. eta vs tors. theta energy: -207.785
Dist. restrs. and SS energy: 8.560 (S_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: 487
Temperature: 1.350000
Total energy: -2069.935154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.935154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.455045 (E_RNA)
where:
Base-Base interactions energy: -1503.977
where: short stacking energy: -613.756
Base-Backbone interact. energy: 4.785
local terms energy: -577.263494
where:
bonds (distance) C4'-P energy: -98.596
bonds (distance) P-C4' energy: -102.930
flat angles C4'-P-C4' energy: -127.201
flat angles P-C4'-P energy: -76.892
tors. eta vs tors. theta energy: -171.645
Dist. restrs. and SS energy: 6.520 (S_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: 488
Temperature: 0.900000
Total energy: -2829.430377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.430377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.468080 (E_RNA)
where:
Base-Base interactions energy: -1999.982
where: short stacking energy: -820.575
Base-Backbone interact. energy: 2.674
local terms energy: -839.160276
where:
bonds (distance) C4'-P energy: -148.102
bonds (distance) P-C4' energy: -142.616
flat angles C4'-P-C4' energy: -176.934
flat angles P-C4'-P energy: -119.879
tors. eta vs tors. theta energy: -251.630
Dist. restrs. and SS energy: 7.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2691.313475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.313475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.792797 (E_RNA)
where:
Base-Base interactions energy: -1925.647
where: short stacking energy: -786.683
Base-Backbone interact. energy: -1.891
local terms energy: -772.255021
where:
bonds (distance) C4'-P energy: -127.912
bonds (distance) P-C4' energy: -126.548
flat angles C4'-P-C4' energy: -159.500
flat angles P-C4'-P energy: -118.619
tors. eta vs tors. theta energy: -239.675
Dist. restrs. and SS energy: 8.479 (S_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: 488
Temperature: 1.000000
Total energy: -2673.385465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.385465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.301279 (E_RNA)
where:
Base-Base interactions energy: -1897.056
where: short stacking energy: -783.786
Base-Backbone interact. energy: -1.982
local terms energy: -779.263251
where:
bonds (distance) C4'-P energy: -127.468
bonds (distance) P-C4' energy: -119.325
flat angles C4'-P-C4' energy: -171.416
flat angles P-C4'-P energy: -115.739
tors. eta vs tors. theta energy: -245.316
Dist. restrs. and SS energy: 4.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2593.459012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.459012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.960409 (E_RNA)
where:
Base-Base interactions energy: -1827.058
where: short stacking energy: -741.537
Base-Backbone interact. energy: -5.037
local terms energy: -764.864793
where:
bonds (distance) C4'-P energy: -115.550
bonds (distance) P-C4' energy: -125.947
flat angles C4'-P-C4' energy: -162.842
flat angles P-C4'-P energy: -107.874
tors. eta vs tors. theta energy: -252.651
Dist. restrs. and SS energy: 3.501 (S_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: 488
Temperature: 1.100000
Total energy: -2490.133032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.133032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.767725 (E_RNA)
where:
Base-Base interactions energy: -1771.746
where: short stacking energy: -711.193
Base-Backbone interact. energy: -4.422
local terms energy: -721.600504
where:
bonds (distance) C4'-P energy: -128.414
bonds (distance) P-C4' energy: -117.437
flat angles C4'-P-C4' energy: -147.365
flat angles P-C4'-P energy: -100.101
tors. eta vs tors. theta energy: -228.283
Dist. restrs. and SS energy: 7.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2441.566450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.566450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.093312 (E_RNA)
where:
Base-Base interactions energy: -1731.923
where: short stacking energy: -710.351
Base-Backbone interact. energy: -0.997
local terms energy: -712.173189
where:
bonds (distance) C4'-P energy: -108.123
bonds (distance) P-C4' energy: -116.325
flat angles C4'-P-C4' energy: -150.804
flat angles P-C4'-P energy: -105.689
tors. eta vs tors. theta energy: -231.232
Dist. restrs. and SS energy: 3.527 (S_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: 488
Temperature: 1.200000
Total energy: -2311.146386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.146386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.272945 (E_RNA)
where:
Base-Base interactions energy: -1636.776
where: short stacking energy: -667.610
Base-Backbone interact. energy: -2.310
local terms energy: -681.186971
where:
bonds (distance) C4'-P energy: -117.519
bonds (distance) P-C4' energy: -104.519
flat angles C4'-P-C4' energy: -153.262
flat angles P-C4'-P energy: -95.452
tors. eta vs tors. theta energy: -210.435
Dist. restrs. and SS energy: 9.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -2241.041406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.041406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.256478 (E_RNA)
where:
Base-Base interactions energy: -1594.771
where: short stacking energy: -625.494
Base-Backbone interact. energy: -1.340
local terms energy: -650.145119
where:
bonds (distance) C4'-P energy: -127.238
bonds (distance) P-C4' energy: -118.912
flat angles C4'-P-C4' energy: -135.350
flat angles P-C4'-P energy: -80.044
tors. eta vs tors. theta energy: -188.600
Dist. restrs. and SS energy: 5.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -2235.402381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.402381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.825112 (E_RNA)
where:
Base-Base interactions energy: -1580.357
where: short stacking energy: -632.672
Base-Backbone interact. energy: 0.161
local terms energy: -663.628935
where:
bonds (distance) C4'-P energy: -117.579
bonds (distance) P-C4' energy: -97.844
flat angles C4'-P-C4' energy: -141.761
flat angles P-C4'-P energy: -110.909
tors. eta vs tors. theta energy: -195.536
Dist. restrs. and SS energy: 8.423 (S_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: 488
Temperature: 1.350000
Total energy: -2050.874840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.874840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.677640 (E_RNA)
where:
Base-Base interactions energy: -1436.285
where: short stacking energy: -571.450
Base-Backbone interact. energy: -0.779
local terms energy: -625.614327
where:
bonds (distance) C4'-P energy: -111.607
bonds (distance) P-C4' energy: -96.237
flat angles C4'-P-C4' energy: -140.451
flat angles P-C4'-P energy: -95.600
tors. eta vs tors. theta energy: -181.719
Dist. restrs. and SS energy: 11.803 (S_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: 489
Temperature: 0.900000
Total energy: -2806.471070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.471070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.468128 (E_RNA)
where:
Base-Base interactions energy: -1982.025
where: short stacking energy: -809.936
Base-Backbone interact. energy: -2.142
local terms energy: -830.301588
where:
bonds (distance) C4'-P energy: -139.801
bonds (distance) P-C4' energy: -132.626
flat angles C4'-P-C4' energy: -166.673
flat angles P-C4'-P energy: -133.338
tors. eta vs tors. theta energy: -257.863
Dist. restrs. and SS energy: 7.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2709.241842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.241842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.115552 (E_RNA)
where:
Base-Base interactions energy: -1931.084
where: short stacking energy: -792.151
Base-Backbone interact. energy: 1.951
local terms energy: -788.982391
where:
bonds (distance) C4'-P energy: -131.511
bonds (distance) P-C4' energy: -125.637
flat angles C4'-P-C4' energy: -178.714
flat angles P-C4'-P energy: -107.343
tors. eta vs tors. theta energy: -245.776
Dist. restrs. and SS energy: 8.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2663.551826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.551826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.671584 (E_RNA)
where:
Base-Base interactions energy: -1891.077
where: short stacking energy: -774.824
Base-Backbone interact. energy: 0.021
local terms energy: -777.616059
where:
bonds (distance) C4'-P energy: -119.983
bonds (distance) P-C4' energy: -126.608
flat angles C4'-P-C4' energy: -167.979
flat angles P-C4'-P energy: -111.967
tors. eta vs tors. theta energy: -251.080
Dist. restrs. and SS energy: 5.120 (S_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: 489
Temperature: 1.050000
Total energy: -2583.453507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.453507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.891714 (E_RNA)
where:
Base-Base interactions energy: -1825.491
where: short stacking energy: -755.707
Base-Backbone interact. energy: 0.633
local terms energy: -763.033626
where:
bonds (distance) C4'-P energy: -118.196
bonds (distance) P-C4' energy: -134.450
flat angles C4'-P-C4' energy: -170.154
flat angles P-C4'-P energy: -101.728
tors. eta vs tors. theta energy: -238.506
Dist. restrs. and SS energy: 4.438 (S_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: 489
Temperature: 1.100000
Total energy: -2455.420779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.420779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.607067 (E_RNA)
where:
Base-Base interactions energy: -1769.871
where: short stacking energy: -730.754
Base-Backbone interact. energy: -2.567
local terms energy: -692.169101
where:
bonds (distance) C4'-P energy: -102.788
bonds (distance) P-C4' energy: -110.866
flat angles C4'-P-C4' energy: -152.553
flat angles P-C4'-P energy: -107.502
tors. eta vs tors. theta energy: -218.460
Dist. restrs. and SS energy: 9.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2487.036563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.036563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.299399 (E_RNA)
where:
Base-Base interactions energy: -1748.611
where: short stacking energy: -727.732
Base-Backbone interact. energy: -1.040
local terms energy: -740.647566
where:
bonds (distance) C4'-P energy: -127.527
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -148.586
flat angles P-C4'-P energy: -111.570
tors. eta vs tors. theta energy: -227.427
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2343.084861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.084861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.836304 (E_RNA)
where:
Base-Base interactions energy: -1661.760
where: short stacking energy: -677.577
Base-Backbone interact. energy: 3.267
local terms energy: -701.343515
where:
bonds (distance) C4'-P energy: -113.386
bonds (distance) P-C4' energy: -131.121
flat angles C4'-P-C4' energy: -143.250
flat angles P-C4'-P energy: -98.835
tors. eta vs tors. theta energy: -214.750
Dist. restrs. and SS energy: 16.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -2260.915562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.915562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.634454 (E_RNA)
where:
Base-Base interactions energy: -1608.462
where: short stacking energy: -637.869
Base-Backbone interact. energy: -3.517
local terms energy: -652.655739
where:
bonds (distance) C4'-P energy: -130.936
bonds (distance) P-C4' energy: -128.367
flat angles C4'-P-C4' energy: -132.526
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: -195.820
Dist. restrs. and SS energy: 3.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -2188.163006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.163006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.412917 (E_RNA)
where:
Base-Base interactions energy: -1539.493
where: short stacking energy: -597.377
Base-Backbone interact. energy: -2.339
local terms energy: -652.580431
where:
bonds (distance) C4'-P energy: -107.184
bonds (distance) P-C4' energy: -134.432
flat angles C4'-P-C4' energy: -134.966
flat angles P-C4'-P energy: -91.661
tors. eta vs tors. theta energy: -184.337
Dist. restrs. and SS energy: 6.250 (S_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: 489
Temperature: 1.350000
Total energy: -2075.836618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.836618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.788905 (E_RNA)
where:
Base-Base interactions energy: -1488.080
where: short stacking energy: -597.471
Base-Backbone interact. energy: -3.543
local terms energy: -594.166075
where:
bonds (distance) C4'-P energy: -98.296
bonds (distance) P-C4' energy: -122.297
flat angles C4'-P-C4' energy: -107.781
flat angles P-C4'-P energy: -85.639
tors. eta vs tors. theta energy: -180.153
Dist. restrs. and SS energy: 9.952 (S_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: 490
Temperature: 0.900000
Total energy: -2799.899498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.899498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.597613 (E_RNA)
where:
Base-Base interactions energy: -1992.982
where: short stacking energy: -807.291
Base-Backbone interact. energy: -1.102
local terms energy: -812.513993
where:
bonds (distance) C4'-P energy: -131.853
bonds (distance) P-C4' energy: -130.347
flat angles C4'-P-C4' energy: -167.393
flat angles P-C4'-P energy: -124.938
tors. eta vs tors. theta energy: -257.983
Dist. restrs. and SS energy: 6.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2727.631839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.631839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.711305 (E_RNA)
where:
Base-Base interactions energy: -1944.900
where: short stacking energy: -776.804
Base-Backbone interact. energy: -2.090
local terms energy: -790.722172
where:
bonds (distance) C4'-P energy: -129.919
bonds (distance) P-C4' energy: -136.941
flat angles C4'-P-C4' energy: -162.420
flat angles P-C4'-P energy: -117.335
tors. eta vs tors. theta energy: -244.106
Dist. restrs. and SS energy: 10.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2657.942936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.942936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.299828 (E_RNA)
where:
Base-Base interactions energy: -1866.455
where: short stacking energy: -770.108
Base-Backbone interact. energy: -4.261
local terms energy: -790.583870
where:
bonds (distance) C4'-P energy: -145.241
bonds (distance) P-C4' energy: -127.582
flat angles C4'-P-C4' energy: -161.253
flat angles P-C4'-P energy: -114.740
tors. eta vs tors. theta energy: -241.767
Dist. restrs. and SS energy: 3.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2620.772649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.772649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.711295 (E_RNA)
where:
Base-Base interactions energy: -1837.908
where: short stacking energy: -758.764
Base-Backbone interact. energy: -1.241
local terms energy: -785.562038
where:
bonds (distance) C4'-P energy: -139.620
bonds (distance) P-C4' energy: -127.598
flat angles C4'-P-C4' energy: -168.294
flat angles P-C4'-P energy: -112.375
tors. eta vs tors. theta energy: -237.676
Dist. restrs. and SS energy: 3.939 (S_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: 490
Temperature: 1.100000
Total energy: -2501.209706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.209706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.084184 (E_RNA)
where:
Base-Base interactions energy: -1755.376
where: short stacking energy: -701.551
Base-Backbone interact. energy: -2.955
local terms energy: -750.752853
where:
bonds (distance) C4'-P energy: -120.101
bonds (distance) P-C4' energy: -139.586
flat angles C4'-P-C4' energy: -160.448
flat angles P-C4'-P energy: -103.802
tors. eta vs tors. theta energy: -226.815
Dist. restrs. and SS energy: 7.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2408.774483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.774483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.969972 (E_RNA)
where:
Base-Base interactions energy: -1707.341
where: short stacking energy: -689.273
Base-Backbone interact. energy: -1.204
local terms energy: -704.424702
where:
bonds (distance) C4'-P energy: -127.842
bonds (distance) P-C4' energy: -134.023
flat angles C4'-P-C4' energy: -139.725
flat angles P-C4'-P energy: -98.252
tors. eta vs tors. theta energy: -204.584
Dist. restrs. and SS energy: 4.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2302.193760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.193760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.237274 (E_RNA)
where:
Base-Base interactions energy: -1658.002
where: short stacking energy: -664.658
Base-Backbone interact. energy: -0.328
local terms energy: -647.907845
where:
bonds (distance) C4'-P energy: -123.837
bonds (distance) P-C4' energy: -87.440
flat angles C4'-P-C4' energy: -146.654
flat angles P-C4'-P energy: -99.502
tors. eta vs tors. theta energy: -190.474
Dist. restrs. and SS energy: 4.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -2286.735901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.735901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.656040 (E_RNA)
where:
Base-Base interactions energy: -1639.343
where: short stacking energy: -656.225
Base-Backbone interact. energy: 9.532
local terms energy: -661.844405
where:
bonds (distance) C4'-P energy: -115.011
bonds (distance) P-C4' energy: -124.241
flat angles C4'-P-C4' energy: -130.571
flat angles P-C4'-P energy: -86.734
tors. eta vs tors. theta energy: -205.286
Dist. restrs. and SS energy: 4.920 (S_DIST_RNA)
chem. 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: -2225.810201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.810201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.491708 (E_RNA)
where:
Base-Base interactions energy: -1576.883
where: short stacking energy: -619.066
Base-Backbone interact. energy: 0.311
local terms energy: -655.920237
where:
bonds (distance) C4'-P energy: -107.820
bonds (distance) P-C4' energy: -129.232
flat angles C4'-P-C4' energy: -133.465
flat angles P-C4'-P energy: -91.139
tors. eta vs tors. theta energy: -194.264
Dist. restrs. and SS energy: 6.682 (S_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: 490
Temperature: 1.350000
Total energy: -2098.489510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.489510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.720040 (E_RNA)
where:
Base-Base interactions energy: -1517.969
where: short stacking energy: -631.275
Base-Backbone interact. energy: -3.264
local terms energy: -587.486997
where:
bonds (distance) C4'-P energy: -92.966
bonds (distance) P-C4' energy: -100.327
flat angles C4'-P-C4' energy: -128.741
flat angles P-C4'-P energy: -74.348
tors. eta vs tors. theta energy: -191.105
Dist. restrs. and SS energy: 10.231 (S_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: 491
Temperature: 0.900000
Total energy: -2792.069348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.069348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.141968 (E_RNA)
where:
Base-Base interactions energy: -1982.040
where: short stacking energy: -817.712
Base-Backbone interact. energy: -1.261
local terms energy: -817.840220
where:
bonds (distance) C4'-P energy: -141.703
bonds (distance) P-C4' energy: -141.458
flat angles C4'-P-C4' energy: -168.516
flat angles P-C4'-P energy: -120.120
tors. eta vs tors. theta energy: -246.043
Dist. restrs. and SS energy: 9.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2711.132504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.132504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.147781 (E_RNA)
where:
Base-Base interactions energy: -1904.806
where: short stacking energy: -777.791
Base-Backbone interact. energy: -3.337
local terms energy: -811.004751
where:
bonds (distance) C4'-P energy: -145.239
bonds (distance) P-C4' energy: -141.501
flat angles C4'-P-C4' energy: -169.652
flat angles P-C4'-P energy: -122.245
tors. eta vs tors. theta energy: -232.368
Dist. restrs. and SS energy: 8.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2658.825104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.825104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.610856 (E_RNA)
where:
Base-Base interactions energy: -1878.358
where: short stacking energy: -774.971
Base-Backbone interact. energy: -2.081
local terms energy: -784.171546
where:
bonds (distance) C4'-P energy: -132.923
bonds (distance) P-C4' energy: -132.503
flat angles C4'-P-C4' energy: -160.491
flat angles P-C4'-P energy: -112.654
tors. eta vs tors. theta energy: -245.599
Dist. restrs. and SS energy: 5.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2609.652924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.652924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.039634 (E_RNA)
where:
Base-Base interactions energy: -1841.894
where: short stacking energy: -775.964
Base-Backbone interact. energy: -0.948
local terms energy: -773.198039
where:
bonds (distance) C4'-P energy: -135.489
bonds (distance) P-C4' energy: -123.628
flat angles C4'-P-C4' energy: -158.890
flat angles P-C4'-P energy: -104.454
tors. eta vs tors. theta energy: -250.736
Dist. restrs. and SS energy: 6.387 (S_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: 491
Temperature: 1.100000
Total energy: -2505.231861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.231861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.951823 (E_RNA)
where:
Base-Base interactions energy: -1772.853
where: short stacking energy: -723.229
Base-Backbone interact. energy: -1.700
local terms energy: -739.398871
where:
bonds (distance) C4'-P energy: -121.065
bonds (distance) P-C4' energy: -117.904
flat angles C4'-P-C4' energy: -150.462
flat angles P-C4'-P energy: -104.087
tors. eta vs tors. theta energy: -245.881
Dist. restrs. and SS energy: 8.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2474.055233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.055233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.449389 (E_RNA)
where:
Base-Base interactions energy: -1758.513
where: short stacking energy: -716.776
Base-Backbone interact. energy: -2.603
local terms energy: -717.332851
where:
bonds (distance) C4'-P energy: -113.693
bonds (distance) P-C4' energy: -131.843
flat angles C4'-P-C4' energy: -162.323
flat angles P-C4'-P energy: -76.036
tors. eta vs tors. theta energy: -233.438
Dist. restrs. and SS energy: 4.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2287.376565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.376565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.742930 (E_RNA)
where:
Base-Base interactions energy: -1634.824
where: short stacking energy: -646.170
Base-Backbone interact. energy: 1.536
local terms energy: -657.454713
where:
bonds (distance) C4'-P energy: -107.181
bonds (distance) P-C4' energy: -121.856
flat angles C4'-P-C4' energy: -122.281
flat angles P-C4'-P energy: -108.050
tors. eta vs tors. theta energy: -198.086
Dist. restrs. and SS energy: 3.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -2272.404334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.404334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.376691 (E_RNA)
where:
Base-Base interactions energy: -1628.684
where: short stacking energy: -658.750
Base-Backbone interact. energy: 2.777
local terms energy: -659.469891
where:
bonds (distance) C4'-P energy: -106.469
bonds (distance) P-C4' energy: -117.297
flat angles C4'-P-C4' energy: -133.306
flat angles P-C4'-P energy: -98.344
tors. eta vs tors. theta energy: -204.054
Dist. restrs. and SS energy: 12.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -2182.301551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.301551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.477926 (E_RNA)
where:
Base-Base interactions energy: -1578.344
where: short stacking energy: -634.454
Base-Backbone interact. energy: -1.456
local terms energy: -617.678419
where:
bonds (distance) C4'-P energy: -111.710
bonds (distance) P-C4' energy: -83.622
flat angles C4'-P-C4' energy: -139.186
flat angles P-C4'-P energy: -88.642
tors. eta vs tors. theta energy: -194.519
Dist. restrs. and SS energy: 15.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -2071.616595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.616595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.761109 (E_RNA)
where:
Base-Base interactions energy: -1469.428
where: short stacking energy: -586.865
Base-Backbone interact. energy: -3.396
local terms energy: -626.937070
where:
bonds (distance) C4'-P energy: -120.440
bonds (distance) P-C4' energy: -100.477
flat angles C4'-P-C4' energy: -132.458
flat angles P-C4'-P energy: -87.247
tors. eta vs tors. theta energy: -186.314
Dist. restrs. and SS energy: 28.145 (S_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: 492
Temperature: 0.900000
Total energy: -2827.804443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.804443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.510203 (E_RNA)
where:
Base-Base interactions energy: -1991.744
where: short stacking energy: -833.219
Base-Backbone interact. energy: -1.027
local terms energy: -841.738572
where:
bonds (distance) C4'-P energy: -141.808
bonds (distance) P-C4' energy: -136.732
flat angles C4'-P-C4' energy: -179.486
flat angles P-C4'-P energy: -129.031
tors. eta vs tors. theta energy: -254.682
Dist. restrs. and SS energy: 6.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2681.346954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.346954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.330226 (E_RNA)
where:
Base-Base interactions energy: -1922.430
where: short stacking energy: -767.102
Base-Backbone interact. energy: -1.524
local terms energy: -764.376230
where:
bonds (distance) C4'-P energy: -124.127
bonds (distance) P-C4' energy: -127.865
flat angles C4'-P-C4' energy: -159.467
flat angles P-C4'-P energy: -113.185
tors. eta vs tors. theta energy: -239.732
Dist. restrs. and SS energy: 6.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2660.184126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.184126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.891403 (E_RNA)
where:
Base-Base interactions energy: -1894.197
where: short stacking energy: -802.195
Base-Backbone interact. energy: -0.006
local terms energy: -774.688136
where:
bonds (distance) C4'-P energy: -119.288
bonds (distance) P-C4' energy: -130.130
flat angles C4'-P-C4' energy: -157.629
flat angles P-C4'-P energy: -120.851
tors. eta vs tors. theta energy: -246.790
Dist. restrs. and SS energy: 8.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2605.169195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.169195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.553003 (E_RNA)
where:
Base-Base interactions energy: -1845.865
where: short stacking energy: -766.825
Base-Backbone interact. energy: -2.554
local terms energy: -763.134253
where:
bonds (distance) C4'-P energy: -135.417
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -153.253
flat angles P-C4'-P energy: -106.858
tors. eta vs tors. theta energy: -240.285
Dist. restrs. and SS energy: 6.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2516.015929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.015929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.048203 (E_RNA)
where:
Base-Base interactions energy: -1772.935
where: short stacking energy: -735.277
Base-Backbone interact. energy: -1.246
local terms energy: -745.866778
where:
bonds (distance) C4'-P energy: -130.325
bonds (distance) P-C4' energy: -133.732
flat angles C4'-P-C4' energy: -140.657
flat angles P-C4'-P energy: -106.609
tors. eta vs tors. theta energy: -234.544
Dist. restrs. and SS energy: 4.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2472.232412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.232412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.444781 (E_RNA)
where:
Base-Base interactions energy: -1772.271
where: short stacking energy: -698.094
Base-Backbone interact. energy: -1.351
local terms energy: -706.822167
where:
bonds (distance) C4'-P energy: -115.039
bonds (distance) P-C4' energy: -132.939
flat angles C4'-P-C4' energy: -146.588
flat angles P-C4'-P energy: -88.787
tors. eta vs tors. theta energy: -223.469
Dist. restrs. and SS energy: 8.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2262.071575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.071575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.390163 (E_RNA)
where:
Base-Base interactions energy: -1608.246
where: short stacking energy: -638.273
Base-Backbone interact. energy: -3.124
local terms energy: -654.019504
where:
bonds (distance) C4'-P energy: -118.899
bonds (distance) P-C4' energy: -122.093
flat angles C4'-P-C4' energy: -135.518
flat angles P-C4'-P energy: -92.293
tors. eta vs tors. theta energy: -185.216
Dist. restrs. and SS energy: 3.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -2196.170102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.170102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.936145 (E_RNA)
where:
Base-Base interactions energy: -1575.380
where: short stacking energy: -644.881
Base-Backbone interact. energy: 5.802
local terms energy: -635.358057
where:
bonds (distance) C4'-P energy: -108.744
bonds (distance) P-C4' energy: -132.830
flat angles C4'-P-C4' energy: -108.204
flat angles P-C4'-P energy: -98.478
tors. eta vs tors. theta energy: -187.102
Dist. restrs. and SS energy: 8.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -2206.540231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.540231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.301287 (E_RNA)
where:
Base-Base interactions energy: -1604.901
where: short stacking energy: -641.521
Base-Backbone interact. energy: -2.277
local terms energy: -609.123339
where:
bonds (distance) C4'-P energy: -95.942
bonds (distance) P-C4' energy: -100.578
flat angles C4'-P-C4' energy: -128.242
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -207.829
Dist. restrs. and SS energy: 9.761 (S_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: 492
Temperature: 1.350000
Total energy: -2108.844817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.844817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.991602 (E_RNA)
where:
Base-Base interactions energy: -1513.050
where: short stacking energy: -598.977
Base-Backbone interact. energy: -1.462
local terms energy: -610.479482
where:
bonds (distance) C4'-P energy: -89.014
bonds (distance) P-C4' energy: -103.832
flat angles C4'-P-C4' energy: -142.988
flat angles P-C4'-P energy: -88.312
tors. eta vs tors. theta energy: -186.334
Dist. restrs. and SS energy: 16.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2799.125745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.125745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.054318 (E_RNA)
where:
Base-Base interactions energy: -1962.872
where: short stacking energy: -806.080
Base-Backbone interact. energy: -3.588
local terms energy: -840.594348
where:
bonds (distance) C4'-P energy: -136.172
bonds (distance) P-C4' energy: -157.259
flat angles C4'-P-C4' energy: -173.741
flat angles P-C4'-P energy: -123.182
tors. eta vs tors. theta energy: -250.240
Dist. restrs. and SS energy: 7.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2727.432144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.432144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.452630 (E_RNA)
where:
Base-Base interactions energy: -1935.039
where: short stacking energy: -817.499
Base-Backbone interact. energy: -3.051
local terms energy: -796.362290
where:
bonds (distance) C4'-P energy: -131.548
bonds (distance) P-C4' energy: -145.568
flat angles C4'-P-C4' energy: -160.270
flat angles P-C4'-P energy: -103.916
tors. eta vs tors. theta energy: -255.061
Dist. restrs. and SS energy: 7.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2649.721551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.721551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.895452 (E_RNA)
where:
Base-Base interactions energy: -1878.057
where: short stacking energy: -766.841
Base-Backbone interact. energy: -0.600
local terms energy: -781.238340
where:
bonds (distance) C4'-P energy: -143.834
bonds (distance) P-C4' energy: -124.000
flat angles C4'-P-C4' energy: -166.301
flat angles P-C4'-P energy: -109.133
tors. eta vs tors. theta energy: -237.970
Dist. restrs. and SS energy: 10.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2573.533354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.533354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.437278 (E_RNA)
where:
Base-Base interactions energy: -1838.681
where: short stacking energy: -752.810
Base-Backbone interact. energy: 1.711
local terms energy: -747.467311
where:
bonds (distance) C4'-P energy: -141.533
bonds (distance) P-C4' energy: -126.938
flat angles C4'-P-C4' energy: -149.400
flat angles P-C4'-P energy: -97.832
tors. eta vs tors. theta energy: -231.765
Dist. restrs. and SS energy: 10.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2522.987707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.987707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.471637 (E_RNA)
where:
Base-Base interactions energy: -1769.711
where: short stacking energy: -748.730
Base-Backbone interact. energy: -2.684
local terms energy: -754.076574
where:
bonds (distance) C4'-P energy: -112.427
bonds (distance) P-C4' energy: -131.729
flat angles C4'-P-C4' energy: -171.737
flat angles P-C4'-P energy: -96.611
tors. eta vs tors. theta energy: -241.573
Dist. restrs. and SS energy: 3.484 (S_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: 493
Temperature: 1.150000
Total energy: -2508.034843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.034843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.649894 (E_RNA)
where:
Base-Base interactions energy: -1764.391
where: short stacking energy: -747.502
Base-Backbone interact. energy: -3.202
local terms energy: -749.056380
where:
bonds (distance) C4'-P energy: -111.212
bonds (distance) P-C4' energy: -138.012
flat angles C4'-P-C4' energy: -154.822
flat angles P-C4'-P energy: -107.069
tors. eta vs tors. theta energy: -237.941
Dist. restrs. and SS energy: 8.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2309.788577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.788577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.701843 (E_RNA)
where:
Base-Base interactions energy: -1666.306
where: short stacking energy: -666.604
Base-Backbone interact. energy: -2.986
local terms energy: -645.409697
where:
bonds (distance) C4'-P energy: -97.013
bonds (distance) P-C4' energy: -103.478
flat angles C4'-P-C4' energy: -148.737
flat angles P-C4'-P energy: -96.748
tors. eta vs tors. theta energy: -199.433
Dist. restrs. and SS energy: 4.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -2246.869964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.869964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.242041 (E_RNA)
where:
Base-Base interactions energy: -1612.853
where: short stacking energy: -652.549
Base-Backbone interact. energy: 1.391
local terms energy: -642.779847
where:
bonds (distance) C4'-P energy: -111.892
bonds (distance) P-C4' energy: -105.563
flat angles C4'-P-C4' energy: -136.846
flat angles P-C4'-P energy: -88.287
tors. eta vs tors. theta energy: -200.192
Dist. restrs. and SS energy: 7.372 (S_DIST_RNA)
chem. 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: -2151.870105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.870105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.623826 (E_RNA)
where:
Base-Base interactions energy: -1545.868
where: short stacking energy: -627.613
Base-Backbone interact. energy: -4.129
local terms energy: -611.627071
where:
bonds (distance) C4'-P energy: -106.026
bonds (distance) P-C4' energy: -91.790
flat angles C4'-P-C4' energy: -138.711
flat angles P-C4'-P energy: -84.117
tors. eta vs tors. theta energy: -190.983
Dist. restrs. and SS energy: 9.754 (S_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: 493
Temperature: 1.350000
Total energy: -2113.071870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.071870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.188250 (E_RNA)
where:
Base-Base interactions energy: -1496.875
where: short stacking energy: -577.133
Base-Backbone interact. energy: -0.676
local terms energy: -625.637385
where:
bonds (distance) C4'-P energy: -109.539
bonds (distance) P-C4' energy: -106.676
flat angles C4'-P-C4' energy: -135.967
flat angles P-C4'-P energy: -90.421
tors. eta vs tors. theta energy: -183.034
Dist. restrs. and SS energy: 10.116 (S_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: 494
Temperature: 0.900000
Total energy: -2799.823932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.823932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.849852 (E_RNA)
where:
Base-Base interactions energy: -2004.847
where: short stacking energy: -824.669
Base-Backbone interact. energy: 1.367
local terms energy: -802.369495
where:
bonds (distance) C4'-P energy: -137.881
bonds (distance) P-C4' energy: -133.937
flat angles C4'-P-C4' energy: -163.145
flat angles P-C4'-P energy: -120.538
tors. eta vs tors. theta energy: -246.869
Dist. restrs. and SS energy: 6.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2712.167978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.167978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.495228 (E_RNA)
where:
Base-Base interactions energy: -1922.923
where: short stacking energy: -795.408
Base-Backbone interact. energy: -2.203
local terms energy: -796.369463
where:
bonds (distance) C4'-P energy: -134.230
bonds (distance) P-C4' energy: -142.434
flat angles C4'-P-C4' energy: -160.838
flat angles P-C4'-P energy: -101.295
tors. eta vs tors. theta energy: -257.573
Dist. restrs. and SS energy: 9.327 (S_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: 494
Temperature: 1.000000
Total energy: -2660.972032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.972032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.610792 (E_RNA)
where:
Base-Base interactions energy: -1896.131
where: short stacking energy: -764.448
Base-Backbone interact. energy: -1.951
local terms energy: -772.529192
where:
bonds (distance) C4'-P energy: -128.748
bonds (distance) P-C4' energy: -135.580
flat angles C4'-P-C4' energy: -154.738
flat angles P-C4'-P energy: -110.686
tors. eta vs tors. theta energy: -242.777
Dist. restrs. and SS energy: 9.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2565.144142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.144142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.790095 (E_RNA)
where:
Base-Base interactions energy: -1814.743
where: short stacking energy: -719.896
Base-Backbone interact. energy: 1.987
local terms energy: -757.033768
where:
bonds (distance) C4'-P energy: -130.080
bonds (distance) P-C4' energy: -127.942
flat angles C4'-P-C4' energy: -153.044
flat angles P-C4'-P energy: -109.228
tors. eta vs tors. theta energy: -236.740
Dist. restrs. and SS energy: 4.646 (S_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: 494
Temperature: 1.100000
Total energy: -2551.475464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.475464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.969944 (E_RNA)
where:
Base-Base interactions energy: -1784.648
where: short stacking energy: -736.253
Base-Backbone interact. energy: -2.087
local terms energy: -774.235012
where:
bonds (distance) C4'-P energy: -131.393
bonds (distance) P-C4' energy: -141.173
flat angles C4'-P-C4' energy: -161.575
flat angles P-C4'-P energy: -108.237
tors. eta vs tors. theta energy: -231.856
Dist. restrs. and SS energy: 9.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2419.370428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.370428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.589627 (E_RNA)
where:
Base-Base interactions energy: -1725.866
where: short stacking energy: -707.658
Base-Backbone interact. energy: -0.422
local terms energy: -699.301726
where:
bonds (distance) C4'-P energy: -104.982
bonds (distance) P-C4' energy: -139.371
flat angles C4'-P-C4' energy: -134.834
flat angles P-C4'-P energy: -101.109
tors. eta vs tors. theta energy: -219.005
Dist. restrs. and SS energy: 6.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2303.151717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.151717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.708110 (E_RNA)
where:
Base-Base interactions energy: -1633.769
where: short stacking energy: -642.147
Base-Backbone interact. energy: -1.425
local terms energy: -673.513558
where:
bonds (distance) C4'-P energy: -123.460
bonds (distance) P-C4' energy: -123.889
flat angles C4'-P-C4' energy: -143.100
flat angles P-C4'-P energy: -92.725
tors. eta vs tors. theta energy: -190.340
Dist. restrs. and SS energy: 5.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -2257.379381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.379381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.930574 (E_RNA)
where:
Base-Base interactions energy: -1604.973
where: short stacking energy: -645.892
Base-Backbone interact. energy: -2.920
local terms energy: -656.037779
where:
bonds (distance) C4'-P energy: -98.219
bonds (distance) P-C4' energy: -112.089
flat angles C4'-P-C4' energy: -143.460
flat angles P-C4'-P energy: -95.913
tors. eta vs tors. theta energy: -206.356
Dist. restrs. and SS energy: 6.551 (S_DIST_RNA)
chem. 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: -2196.105647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.105647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.403070 (E_RNA)
where:
Base-Base interactions energy: -1528.738
where: short stacking energy: -604.851
Base-Backbone interact. energy: -2.738
local terms energy: -670.926742
where:
bonds (distance) C4'-P energy: -128.052
bonds (distance) P-C4' energy: -109.412
flat angles C4'-P-C4' energy: -138.013
flat angles P-C4'-P energy: -97.486
tors. eta vs tors. theta energy: -197.964
Dist. restrs. and SS energy: 6.297 (S_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: 494
Temperature: 1.350000
Total energy: -2090.351928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.351928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.934380 (E_RNA)
where:
Base-Base interactions energy: -1498.600
where: short stacking energy: -614.382
Base-Backbone interact. energy: -2.480
local terms energy: -608.854474
where:
bonds (distance) C4'-P energy: -77.094
bonds (distance) P-C4' energy: -116.678
flat angles C4'-P-C4' energy: -144.403
flat angles P-C4'-P energy: -79.329
tors. eta vs tors. theta energy: -191.351
Dist. restrs. and SS energy: 19.582 (S_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: 495
Temperature: 0.900000
Total energy: -2779.155162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.155162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.646082 (E_RNA)
where:
Base-Base interactions energy: -1968.791
where: short stacking energy: -810.275
Base-Backbone interact. energy: 0.617
local terms energy: -816.472565
where:
bonds (distance) C4'-P energy: -154.324
bonds (distance) P-C4' energy: -135.162
flat angles C4'-P-C4' energy: -168.533
flat angles P-C4'-P energy: -111.256
tors. eta vs tors. theta energy: -247.197
Dist. restrs. and SS energy: 5.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2687.819887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.819887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.981267 (E_RNA)
where:
Base-Base interactions energy: -1900.232
where: short stacking energy: -779.421
Base-Backbone interact. energy: -2.676
local terms energy: -793.072747
where:
bonds (distance) C4'-P energy: -144.985
bonds (distance) P-C4' energy: -116.464
flat angles C4'-P-C4' energy: -176.027
flat angles P-C4'-P energy: -114.216
tors. eta vs tors. theta energy: -241.380
Dist. restrs. and SS energy: 8.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2676.240025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.240025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.457861 (E_RNA)
where:
Base-Base interactions energy: -1879.495
where: short stacking energy: -787.886
Base-Backbone interact. energy: 0.630
local terms energy: -805.592469
where:
bonds (distance) C4'-P energy: -147.390
bonds (distance) P-C4' energy: -133.382
flat angles C4'-P-C4' energy: -154.199
flat angles P-C4'-P energy: -114.540
tors. eta vs tors. theta energy: -256.082
Dist. restrs. and SS energy: 8.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2577.459233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.459233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.682681 (E_RNA)
where:
Base-Base interactions energy: -1816.749
where: short stacking energy: -746.923
Base-Backbone interact. energy: 3.377
local terms energy: -767.310021
where:
bonds (distance) C4'-P energy: -134.455
bonds (distance) P-C4' energy: -145.814
flat angles C4'-P-C4' energy: -142.212
flat angles P-C4'-P energy: -110.670
tors. eta vs tors. theta energy: -234.159
Dist. restrs. and SS energy: 3.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2543.587952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.587952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.441426 (E_RNA)
where:
Base-Base interactions energy: -1822.132
where: short stacking energy: -749.071
Base-Backbone interact. energy: -3.842
local terms energy: -729.466874
where:
bonds (distance) C4'-P energy: -115.491
bonds (distance) P-C4' energy: -128.856
flat angles C4'-P-C4' energy: -151.874
flat angles P-C4'-P energy: -105.183
tors. eta vs tors. theta energy: -228.063
Dist. restrs. and SS energy: 11.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2456.205625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.205625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.067773 (E_RNA)
where:
Base-Base interactions energy: -1716.976
where: short stacking energy: -718.329
Base-Backbone interact. energy: -5.423
local terms energy: -737.668946
where:
bonds (distance) C4'-P energy: -129.373
bonds (distance) P-C4' energy: -126.834
flat angles C4'-P-C4' energy: -149.761
flat angles P-C4'-P energy: -101.973
tors. eta vs tors. theta energy: -229.728
Dist. restrs. and SS energy: 3.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2279.949779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.949779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.044085 (E_RNA)
where:
Base-Base interactions energy: -1637.449
where: short stacking energy: -635.300
Base-Backbone interact. energy: -5.560
local terms energy: -645.034581
where:
bonds (distance) C4'-P energy: -116.894
bonds (distance) P-C4' energy: -101.772
flat angles C4'-P-C4' energy: -148.310
flat angles P-C4'-P energy: -89.966
tors. eta vs tors. theta energy: -188.092
Dist. restrs. and SS energy: 8.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -2230.533248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.533248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.878896 (E_RNA)
where:
Base-Base interactions energy: -1603.013
where: short stacking energy: -637.955
Base-Backbone interact. energy: -0.101
local terms energy: -632.764312
where:
bonds (distance) C4'-P energy: -97.661
bonds (distance) P-C4' energy: -107.832
flat angles C4'-P-C4' energy: -147.504
flat angles P-C4'-P energy: -83.375
tors. eta vs tors. theta energy: -196.393
Dist. restrs. and SS energy: 5.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -2154.111948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.111948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.656282 (E_RNA)
where:
Base-Base interactions energy: -1528.725
where: short stacking energy: -604.269
Base-Backbone interact. energy: -1.602
local terms energy: -630.328982
where:
bonds (distance) C4'-P energy: -99.580
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -140.119
flat angles P-C4'-P energy: -87.727
tors. eta vs tors. theta energy: -188.930
Dist. restrs. and SS energy: 6.544 (S_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: 495
Temperature: 1.350000
Total energy: -2083.858295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.858295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.880795 (E_RNA)
where:
Base-Base interactions energy: -1501.672
where: short stacking energy: -597.295
Base-Backbone interact. energy: -2.811
local terms energy: -593.397098
where:
bonds (distance) C4'-P energy: -107.590
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -148.089
flat angles P-C4'-P energy: -74.715
tors. eta vs tors. theta energy: -176.797
Dist. restrs. and SS energy: 14.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2772.591401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.591401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.328267 (E_RNA)
where:
Base-Base interactions energy: -1965.604
where: short stacking energy: -778.124
Base-Backbone interact. energy: -2.247
local terms energy: -810.478197
where:
bonds (distance) C4'-P energy: -148.067
bonds (distance) P-C4' energy: -148.753
flat angles C4'-P-C4' energy: -157.986
flat angles P-C4'-P energy: -112.914
tors. eta vs tors. theta energy: -242.759
Dist. restrs. and SS energy: 5.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2713.264703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.264703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.239791 (E_RNA)
where:
Base-Base interactions energy: -1919.626
where: short stacking energy: -776.857
Base-Backbone interact. energy: -3.648
local terms energy: -796.966528
where:
bonds (distance) C4'-P energy: -141.071
bonds (distance) P-C4' energy: -143.887
flat angles C4'-P-C4' energy: -151.503
flat angles P-C4'-P energy: -116.988
tors. eta vs tors. theta energy: -243.517
Dist. restrs. and SS energy: 6.975 (S_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: 496
Temperature: 1.000000
Total energy: -2647.493074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.493074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.315518 (E_RNA)
where:
Base-Base interactions energy: -1858.461
where: short stacking energy: -759.627
Base-Backbone interact. energy: 0.347
local terms energy: -794.201629
where:
bonds (distance) C4'-P energy: -131.261
bonds (distance) P-C4' energy: -129.984
flat angles C4'-P-C4' energy: -165.177
flat angles P-C4'-P energy: -126.048
tors. eta vs tors. theta energy: -241.732
Dist. restrs. and SS energy: 4.822 (S_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: 496
Temperature: 1.050000
Total energy: -2595.120225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.120225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.842289 (E_RNA)
where:
Base-Base interactions energy: -1840.647
where: short stacking energy: -784.734
Base-Backbone interact. energy: 1.171
local terms energy: -763.365364
where:
bonds (distance) C4'-P energy: -131.312
bonds (distance) P-C4' energy: -118.315
flat angles C4'-P-C4' energy: -161.251
flat angles P-C4'-P energy: -103.119
tors. eta vs tors. theta energy: -249.369
Dist. restrs. and SS energy: 7.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2532.328547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.328547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.125565 (E_RNA)
where:
Base-Base interactions energy: -1798.106
where: short stacking energy: -733.512
Base-Backbone interact. energy: -0.139
local terms energy: -742.880280
where:
bonds (distance) C4'-P energy: -127.821
bonds (distance) P-C4' energy: -129.508
flat angles C4'-P-C4' energy: -154.858
flat angles P-C4'-P energy: -108.853
tors. eta vs tors. theta energy: -221.840
Dist. restrs. and SS energy: 8.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2466.011990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.011990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.883903 (E_RNA)
where:
Base-Base interactions energy: -1743.918
where: short stacking energy: -723.921
Base-Backbone interact. energy: -2.392
local terms energy: -725.573645
where:
bonds (distance) C4'-P energy: -111.254
bonds (distance) P-C4' energy: -128.209
flat angles C4'-P-C4' energy: -145.186
flat angles P-C4'-P energy: -114.074
tors. eta vs tors. theta energy: -226.851
Dist. restrs. and SS energy: 5.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -2338.971196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.971196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.641626 (E_RNA)
where:
Base-Base interactions energy: -1679.098
where: short stacking energy: -669.853
Base-Backbone interact. energy: -0.994
local terms energy: -662.549404
where:
bonds (distance) C4'-P energy: -116.702
bonds (distance) P-C4' energy: -107.554
flat angles C4'-P-C4' energy: -150.938
flat angles P-C4'-P energy: -81.700
tors. eta vs tors. theta energy: -205.655
Dist. restrs. and SS energy: 3.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2262.200533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.200533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.597852 (E_RNA)
where:
Base-Base interactions energy: -1606.399
where: short stacking energy: -640.755
Base-Backbone interact. energy: -1.655
local terms energy: -661.542954
where:
bonds (distance) C4'-P energy: -109.586
bonds (distance) P-C4' energy: -114.205
flat angles C4'-P-C4' energy: -144.753
flat angles P-C4'-P energy: -96.633
tors. eta vs tors. theta energy: -196.365
Dist. restrs. and SS energy: 7.397 (S_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: 496
Temperature: 1.300000
Total energy: -2189.943667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.943667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.319201 (E_RNA)
where:
Base-Base interactions energy: -1561.314
where: short stacking energy: -625.445
Base-Backbone interact. energy: -1.243
local terms energy: -638.761957
where:
bonds (distance) C4'-P energy: -114.714
bonds (distance) P-C4' energy: -108.449
flat angles C4'-P-C4' energy: -126.000
flat angles P-C4'-P energy: -91.514
tors. eta vs tors. theta energy: -198.085
Dist. restrs. and SS energy: 11.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -2094.580527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.580527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.428630 (E_RNA)
where:
Base-Base interactions energy: -1530.474
where: short stacking energy: -625.477
Base-Backbone interact. energy: 1.174
local terms energy: -583.128506
where:
bonds (distance) C4'-P energy: -128.657
bonds (distance) P-C4' energy: -93.982
flat angles C4'-P-C4' energy: -104.192
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -188.148
Dist. restrs. and SS energy: 17.848 (S_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: 497
Temperature: 0.900000
Total energy: -2775.977045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.977045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.635971 (E_RNA)
where:
Base-Base interactions energy: -1985.253
where: short stacking energy: -788.760
Base-Backbone interact. energy: -2.737
local terms energy: -795.645991
where:
bonds (distance) C4'-P energy: -137.023
bonds (distance) P-C4' energy: -134.538
flat angles C4'-P-C4' energy: -162.479
flat angles P-C4'-P energy: -115.824
tors. eta vs tors. theta energy: -245.782
Dist. restrs. and SS energy: 7.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2729.391773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.391773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.109492 (E_RNA)
where:
Base-Base interactions energy: -1924.886
where: short stacking energy: -793.638
Base-Backbone interact. energy: -3.088
local terms energy: -809.136268
where:
bonds (distance) C4'-P energy: -150.198
bonds (distance) P-C4' energy: -134.618
flat angles C4'-P-C4' energy: -162.569
flat angles P-C4'-P energy: -115.943
tors. eta vs tors. theta energy: -245.808
Dist. restrs. and SS energy: 7.718 (S_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: 497
Temperature: 1.000000
Total energy: -2661.433603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.433603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.658334 (E_RNA)
where:
Base-Base interactions energy: -1902.215
where: short stacking energy: -753.777
Base-Backbone interact. energy: 0.015
local terms energy: -763.459038
where:
bonds (distance) C4'-P energy: -123.388
bonds (distance) P-C4' energy: -126.292
flat angles C4'-P-C4' energy: -164.943
flat angles P-C4'-P energy: -106.119
tors. eta vs tors. theta energy: -242.716
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2617.728328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.728328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.299381 (E_RNA)
where:
Base-Base interactions energy: -1841.423
where: short stacking energy: -758.201
Base-Backbone interact. energy: -2.129
local terms energy: -782.747739
where:
bonds (distance) C4'-P energy: -138.480
bonds (distance) P-C4' energy: -144.609
flat angles C4'-P-C4' energy: -143.723
flat angles P-C4'-P energy: -110.344
tors. eta vs tors. theta energy: -245.591
Dist. restrs. and SS energy: 8.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2517.602551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.602551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.978862 (E_RNA)
where:
Base-Base interactions energy: -1787.226
where: short stacking energy: -719.494
Base-Backbone interact. energy: -2.412
local terms energy: -735.341253
where:
bonds (distance) C4'-P energy: -109.712
bonds (distance) P-C4' energy: -122.367
flat angles C4'-P-C4' energy: -157.148
flat angles P-C4'-P energy: -106.684
tors. eta vs tors. theta energy: -239.430
Dist. restrs. and SS energy: 7.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2443.655659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.655659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.191263 (E_RNA)
where:
Base-Base interactions energy: -1748.237
where: short stacking energy: -708.110
Base-Backbone interact. energy: -1.617
local terms energy: -699.337964
where:
bonds (distance) C4'-P energy: -108.016
bonds (distance) P-C4' energy: -119.890
flat angles C4'-P-C4' energy: -157.808
flat angles P-C4'-P energy: -89.385
tors. eta vs tors. theta energy: -224.240
Dist. restrs. and SS energy: 5.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -2318.257715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.257715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.820102 (E_RNA)
where:
Base-Base interactions energy: -1654.926
where: short stacking energy: -646.715
Base-Backbone interact. energy: -1.498
local terms energy: -667.396322
where:
bonds (distance) C4'-P energy: -122.047
bonds (distance) P-C4' energy: -122.710
flat angles C4'-P-C4' energy: -131.067
flat angles P-C4'-P energy: -100.970
tors. eta vs tors. theta energy: -190.602
Dist. restrs. and SS energy: 5.562 (S_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: 497
Temperature: 1.250000
Total energy: -2202.921500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.921500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.651748 (E_RNA)
where:
Base-Base interactions energy: -1571.911
where: short stacking energy: -626.387
Base-Backbone interact. energy: -1.519
local terms energy: -638.221408
where:
bonds (distance) C4'-P energy: -110.600
bonds (distance) P-C4' energy: -119.886
flat angles C4'-P-C4' energy: -140.900
flat angles P-C4'-P energy: -76.837
tors. eta vs tors. theta energy: -189.999
Dist. restrs. and SS energy: 8.730 (S_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: 497
Temperature: 1.300000
Total energy: -2180.273970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.273970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.318777 (E_RNA)
where:
Base-Base interactions energy: -1576.858
where: short stacking energy: -609.055
Base-Backbone interact. energy: -3.434
local terms energy: -607.026879
where:
bonds (distance) C4'-P energy: -124.484
bonds (distance) P-C4' energy: -101.280
flat angles C4'-P-C4' energy: -136.007
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: -186.369
Dist. restrs. and SS energy: 7.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -2036.680424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.680424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.360309 (E_RNA)
where:
Base-Base interactions energy: -1456.428
where: short stacking energy: -581.378
Base-Backbone interact. energy: -0.040
local terms energy: -593.892276
where:
bonds (distance) C4'-P energy: -108.310
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -114.093
flat angles P-C4'-P energy: -87.409
tors. eta vs tors. theta energy: -172.406
Dist. restrs. and SS energy: 13.680 (S_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: 498
Temperature: 0.900000
Total energy: -2819.338801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.338801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.930369 (E_RNA)
where:
Base-Base interactions energy: -1993.553
where: short stacking energy: -804.466
Base-Backbone interact. energy: -3.283
local terms energy: -830.094301
where:
bonds (distance) C4'-P energy: -150.934
bonds (distance) P-C4' energy: -137.529
flat angles C4'-P-C4' energy: -164.426
flat angles P-C4'-P energy: -123.837
tors. eta vs tors. theta energy: -253.368
Dist. restrs. and SS energy: 7.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2711.872275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.872275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.984019 (E_RNA)
where:
Base-Base interactions energy: -1925.819
where: short stacking energy: -781.985
Base-Backbone interact. energy: -2.797
local terms energy: -789.367845
where:
bonds (distance) C4'-P energy: -134.817
bonds (distance) P-C4' energy: -135.335
flat angles C4'-P-C4' energy: -161.524
flat angles P-C4'-P energy: -118.707
tors. eta vs tors. theta energy: -238.984
Dist. restrs. and SS energy: 6.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2641.865098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.865098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.267584 (E_RNA)
where:
Base-Base interactions energy: -1884.117
where: short stacking energy: -759.687
Base-Backbone interact. energy: -3.755
local terms energy: -760.395241
where:
bonds (distance) C4'-P energy: -138.749
bonds (distance) P-C4' energy: -125.845
flat angles C4'-P-C4' energy: -157.209
flat angles P-C4'-P energy: -102.359
tors. eta vs tors. theta energy: -236.233
Dist. restrs. and SS energy: 6.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2586.463272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.463272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.426658 (E_RNA)
where:
Base-Base interactions energy: -1833.057
where: short stacking energy: -749.903
Base-Backbone interact. energy: -0.964
local terms energy: -760.405690
where:
bonds (distance) C4'-P energy: -130.148
bonds (distance) P-C4' energy: -132.314
flat angles C4'-P-C4' energy: -160.289
flat angles P-C4'-P energy: -100.630
tors. eta vs tors. theta energy: -237.026
Dist. restrs. and SS energy: 7.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2537.058863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.058863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.981233 (E_RNA)
where:
Base-Base interactions energy: -1809.168
where: short stacking energy: -735.191
Base-Backbone interact. energy: -5.327
local terms energy: -729.486428
where:
bonds (distance) C4'-P energy: -108.542
bonds (distance) P-C4' energy: -128.242
flat angles C4'-P-C4' energy: -149.407
flat angles P-C4'-P energy: -103.602
tors. eta vs tors. theta energy: -239.693
Dist. restrs. and SS energy: 6.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2443.132207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.132207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.739896 (E_RNA)
where:
Base-Base interactions energy: -1747.704
where: short stacking energy: -699.722
Base-Backbone interact. energy: -3.481
local terms energy: -700.555144
where:
bonds (distance) C4'-P energy: -124.862
bonds (distance) P-C4' energy: -107.512
flat angles C4'-P-C4' energy: -144.738
flat angles P-C4'-P energy: -100.974
tors. eta vs tors. theta energy: -222.469
Dist. restrs. and SS energy: 8.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -2344.433213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.433213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.045346 (E_RNA)
where:
Base-Base interactions energy: -1657.920
where: short stacking energy: -629.649
Base-Backbone interact. energy: -0.690
local terms energy: -688.435825
where:
bonds (distance) C4'-P energy: -128.069
bonds (distance) P-C4' energy: -116.776
flat angles C4'-P-C4' energy: -149.000
flat angles P-C4'-P energy: -99.924
tors. eta vs tors. theta energy: -194.667
Dist. restrs. and SS energy: 2.612 (S_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: 498
Temperature: 1.250000
Total energy: -2204.271330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.271330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.888114 (E_RNA)
where:
Base-Base interactions energy: -1572.802
where: short stacking energy: -620.418
Base-Backbone interact. energy: -2.052
local terms energy: -642.034328
where:
bonds (distance) C4'-P energy: -102.663
bonds (distance) P-C4' energy: -109.780
flat angles C4'-P-C4' energy: -145.646
flat angles P-C4'-P energy: -88.501
tors. eta vs tors. theta energy: -195.445
Dist. restrs. and SS energy: 12.617 (S_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: 498
Temperature: 1.300000
Total energy: -2197.114499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.114499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.880485 (E_RNA)
where:
Base-Base interactions energy: -1573.052
where: short stacking energy: -629.887
Base-Backbone interact. energy: 2.537
local terms energy: -631.366334
where:
bonds (distance) C4'-P energy: -99.942
bonds (distance) P-C4' energy: -105.919
flat angles C4'-P-C4' energy: -135.529
flat angles P-C4'-P energy: -93.943
tors. eta vs tors. theta energy: -196.034
Dist. restrs. and SS energy: 4.766 (S_DIST_RNA)
chem. 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: -2053.382163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.382163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.844577 (E_RNA)
where:
Base-Base interactions energy: -1492.862
where: short stacking energy: -613.894
Base-Backbone interact. energy: -1.571
local terms energy: -568.412064
where:
bonds (distance) C4'-P energy: -83.522
bonds (distance) P-C4' energy: -123.056
flat angles C4'-P-C4' energy: -117.280
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -179.346
Dist. restrs. and SS energy: 9.462 (S_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: 499
Temperature: 0.900000
Total energy: -2829.290674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.290674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.976536 (E_RNA)
where:
Base-Base interactions energy: -2005.778
where: short stacking energy: -796.751
Base-Backbone interact. energy: -3.412
local terms energy: -826.786633
where:
bonds (distance) C4'-P energy: -131.096
bonds (distance) P-C4' energy: -156.144
flat angles C4'-P-C4' energy: -171.383
flat angles P-C4'-P energy: -117.976
tors. eta vs tors. theta energy: -250.187
Dist. restrs. and SS energy: 6.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2714.258640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.258640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.144969 (E_RNA)
where:
Base-Base interactions energy: -1932.731
where: short stacking energy: -785.639
Base-Backbone interact. energy: -2.720
local terms energy: -784.693559
where:
bonds (distance) C4'-P energy: -147.659
bonds (distance) P-C4' energy: -131.174
flat angles C4'-P-C4' energy: -164.458
flat angles P-C4'-P energy: -102.033
tors. eta vs tors. theta energy: -239.369
Dist. restrs. and SS energy: 5.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2635.592679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.592679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.015330 (E_RNA)
where:
Base-Base interactions energy: -1860.943
where: short stacking energy: -790.210
Base-Backbone interact. energy: -2.002
local terms energy: -780.070837
where:
bonds (distance) C4'-P energy: -126.109
bonds (distance) P-C4' energy: -135.698
flat angles C4'-P-C4' energy: -159.662
flat angles P-C4'-P energy: -109.609
tors. eta vs tors. theta energy: -248.993
Dist. restrs. and SS energy: 7.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2576.925342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.925342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.438814 (E_RNA)
where:
Base-Base interactions energy: -1829.231
where: short stacking energy: -748.705
Base-Backbone interact. energy: -1.644
local terms energy: -754.564319
where:
bonds (distance) C4'-P energy: -123.356
bonds (distance) P-C4' energy: -131.169
flat angles C4'-P-C4' energy: -155.010
flat angles P-C4'-P energy: -109.859
tors. eta vs tors. theta energy: -235.171
Dist. restrs. and SS energy: 8.513 (S_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: 499
Temperature: 1.100000
Total energy: -2562.317375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.317375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.446751 (E_RNA)
where:
Base-Base interactions energy: -1821.882
where: short stacking energy: -736.691
Base-Backbone interact. energy: -1.871
local terms energy: -748.693356
where:
bonds (distance) C4'-P energy: -123.878
bonds (distance) P-C4' energy: -137.867
flat angles C4'-P-C4' energy: -155.537
flat angles P-C4'-P energy: -102.194
tors. eta vs tors. theta energy: -229.218
Dist. restrs. and SS energy: 10.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2388.469111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.469111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.744621 (E_RNA)
where:
Base-Base interactions energy: -1701.209
where: short stacking energy: -706.657
Base-Backbone interact. energy: -0.979
local terms energy: -695.556671
where:
bonds (distance) C4'-P energy: -119.811
bonds (distance) P-C4' energy: -125.267
flat angles C4'-P-C4' energy: -141.600
flat angles P-C4'-P energy: -91.560
tors. eta vs tors. theta energy: -217.318
Dist. restrs. and SS energy: 9.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -2311.199560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.199560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.152259 (E_RNA)
where:
Base-Base interactions energy: -1646.009
where: short stacking energy: -661.599
Base-Backbone interact. energy: -3.296
local terms energy: -666.847438
where:
bonds (distance) C4'-P energy: -103.271
bonds (distance) P-C4' energy: -122.591
flat angles C4'-P-C4' energy: -141.704
flat angles P-C4'-P energy: -105.212
tors. eta vs tors. theta energy: -194.070
Dist. restrs. and SS energy: 4.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -2208.030201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.030201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.556483 (E_RNA)
where:
Base-Base interactions energy: -1566.896
where: short stacking energy: -616.672
Base-Backbone interact. energy: -3.667
local terms energy: -651.993810
where:
bonds (distance) C4'-P energy: -101.639
bonds (distance) P-C4' energy: -133.881
flat angles C4'-P-C4' energy: -123.505
flat angles P-C4'-P energy: -96.565
tors. eta vs tors. theta energy: -196.404
Dist. restrs. and SS energy: 14.526 (S_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: 499
Temperature: 1.300000
Total energy: -2177.577756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.577756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.144014 (E_RNA)
where:
Base-Base interactions energy: -1544.949
where: short stacking energy: -628.961
Base-Backbone interact. energy: -0.517
local terms energy: -638.677289
where:
bonds (distance) C4'-P energy: -84.267
bonds (distance) P-C4' energy: -115.360
flat angles C4'-P-C4' energy: -134.588
flat angles P-C4'-P energy: -107.647
tors. eta vs tors. theta energy: -196.815
Dist. restrs. and SS energy: 6.566 (S_DIST_RNA)
chem. 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: -2041.032924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.032924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.498819 (E_RNA)
where:
Base-Base interactions energy: -1440.292
where: short stacking energy: -569.140
Base-Backbone interact. energy: -3.281
local terms energy: -612.924927
where:
bonds (distance) C4'-P energy: -116.671
bonds (distance) P-C4' energy: -112.837
flat angles C4'-P-C4' energy: -121.670
flat angles P-C4'-P energy: -85.158
tors. eta vs tors. theta energy: -176.589
Dist. restrs. and SS energy: 15.466 (S_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: 500
Temperature: 0.900000
Total energy: -2830.326776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.326776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.730102 (E_RNA)
where:
Base-Base interactions energy: -1987.991
where: short stacking energy: -807.925
Base-Backbone interact. energy: -3.078
local terms energy: -847.661176
where:
bonds (distance) C4'-P energy: -152.534
bonds (distance) P-C4' energy: -147.843
flat angles C4'-P-C4' energy: -167.250
flat angles P-C4'-P energy: -124.828
tors. eta vs tors. theta energy: -255.206
Dist. restrs. and SS energy: 8.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2712.019087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.019087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.364596 (E_RNA)
where:
Base-Base interactions energy: -1936.535
where: short stacking energy: -783.311
Base-Backbone interact. energy: -1.010
local terms energy: -784.819084
where:
bonds (distance) C4'-P energy: -130.834
bonds (distance) P-C4' energy: -143.455
flat angles C4'-P-C4' energy: -166.533
flat angles P-C4'-P energy: -105.828
tors. eta vs tors. theta energy: -238.170
Dist. restrs. and SS energy: 10.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2653.655806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.655806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.675860 (E_RNA)
where:
Base-Base interactions energy: -1889.665
where: short stacking energy: -772.827
Base-Backbone interact. energy: 1.206
local terms energy: -775.216753
where:
bonds (distance) C4'-P energy: -120.660
bonds (distance) P-C4' energy: -144.028
flat angles C4'-P-C4' energy: -158.437
flat angles P-C4'-P energy: -107.442
tors. eta vs tors. theta energy: -244.650
Dist. restrs. and SS energy: 10.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2579.700806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.700806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.400026 (E_RNA)
where:
Base-Base interactions energy: -1842.400
where: short stacking energy: -784.458
Base-Backbone interact. energy: 0.063
local terms energy: -744.063890
where:
bonds (distance) C4'-P energy: -120.279
bonds (distance) P-C4' energy: -123.931
flat angles C4'-P-C4' energy: -155.917
flat angles P-C4'-P energy: -111.584
tors. eta vs tors. theta energy: -232.351
Dist. restrs. and SS energy: 6.699 (S_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: 500
Temperature: 1.100000
Total energy: -2544.037624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.037624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.767389 (E_RNA)
where:
Base-Base interactions energy: -1790.673
where: short stacking energy: -726.398
Base-Backbone interact. energy: -4.637
local terms energy: -758.457159
where:
bonds (distance) C4'-P energy: -129.806
bonds (distance) P-C4' energy: -128.577
flat angles C4'-P-C4' energy: -158.826
flat angles P-C4'-P energy: -106.509
tors. eta vs tors. theta energy: -234.740
Dist. restrs. and SS energy: 9.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2471.197799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.197799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.559840 (E_RNA)
where:
Base-Base interactions energy: -1705.314
where: short stacking energy: -693.950
Base-Backbone interact. energy: -1.229
local terms energy: -769.017344
where:
bonds (distance) C4'-P energy: -132.460
bonds (distance) P-C4' energy: -139.402
flat angles C4'-P-C4' energy: -163.782
flat angles P-C4'-P energy: -116.439
tors. eta vs tors. theta energy: -216.934
Dist. restrs. and SS energy: 4.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -2314.070964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.070964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.930512 (E_RNA)
where:
Base-Base interactions energy: -1679.832
where: short stacking energy: -673.422
Base-Backbone interact. energy: -4.174
local terms energy: -631.924193
where:
bonds (distance) C4'-P energy: -122.332
bonds (distance) P-C4' energy: -113.992
flat angles C4'-P-C4' energy: -124.277
flat angles P-C4'-P energy: -83.254
tors. eta vs tors. theta energy: -188.070
Dist. restrs. and SS energy: 1.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -2205.800817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.800817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.051571 (E_RNA)
where:
Base-Base interactions energy: -1549.774
where: short stacking energy: -594.623
Base-Backbone interact. energy: 1.737
local terms energy: -667.014529
where:
bonds (distance) C4'-P energy: -121.742
bonds (distance) P-C4' energy: -110.039
flat angles C4'-P-C4' energy: -127.065
flat angles P-C4'-P energy: -109.658
tors. eta vs tors. theta energy: -198.511
Dist. restrs. and SS energy: 9.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -2142.289398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.289398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.656089 (E_RNA)
where:
Base-Base interactions energy: -1530.363
where: short stacking energy: -623.174
Base-Backbone interact. energy: -0.309
local terms energy: -618.984223
where:
bonds (distance) C4'-P energy: -106.906
bonds (distance) P-C4' energy: -105.473
flat angles C4'-P-C4' energy: -130.471
flat angles P-C4'-P energy: -80.984
tors. eta vs tors. theta energy: -195.151
Dist. restrs. and SS energy: 7.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -2094.782935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.782935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.333785 (E_RNA)
where:
Base-Base interactions energy: -1521.689
where: short stacking energy: -580.434
Base-Backbone interact. energy: -0.270
local terms energy: -582.374962
where:
bonds (distance) C4'-P energy: -104.871
bonds (distance) P-C4' energy: -101.901
flat angles C4'-P-C4' energy: -124.412
flat angles P-C4'-P energy: -65.418
tors. eta vs tors. theta energy: -185.773
Dist. restrs. and SS energy: 9.551 (S_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: 501
Temperature: 0.900000
Total energy: -2804.386509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.386509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.871760 (E_RNA)
where:
Base-Base interactions energy: -2009.206
where: short stacking energy: -806.753
Base-Backbone interact. energy: -2.689
local terms energy: -799.976108
where:
bonds (distance) C4'-P energy: -131.791
bonds (distance) P-C4' energy: -129.865
flat angles C4'-P-C4' energy: -162.168
flat angles P-C4'-P energy: -123.194
tors. eta vs tors. theta energy: -252.959
Dist. restrs. and SS energy: 7.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2771.763426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.763426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.536492 (E_RNA)
where:
Base-Base interactions energy: -1981.349
where: short stacking energy: -832.577
Base-Backbone interact. energy: -3.611
local terms energy: -795.576816
where:
bonds (distance) C4'-P energy: -145.200
bonds (distance) P-C4' energy: -124.424
flat angles C4'-P-C4' energy: -163.405
flat angles P-C4'-P energy: -110.256
tors. eta vs tors. theta energy: -252.292
Dist. restrs. and SS energy: 8.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2670.566852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.566852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.286158 (E_RNA)
where:
Base-Base interactions energy: -1892.018
where: short stacking energy: -798.970
Base-Backbone interact. energy: -2.269
local terms energy: -783.999099
where:
bonds (distance) C4'-P energy: -125.470
bonds (distance) P-C4' energy: -150.052
flat angles C4'-P-C4' energy: -163.912
flat angles P-C4'-P energy: -99.649
tors. eta vs tors. theta energy: -244.916
Dist. restrs. and SS energy: 7.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2607.043618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.043618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.273942 (E_RNA)
where:
Base-Base interactions energy: -1835.216
where: short stacking energy: -751.457
Base-Backbone interact. energy: -2.726
local terms energy: -774.331942
where:
bonds (distance) C4'-P energy: -131.117
bonds (distance) P-C4' energy: -144.154
flat angles C4'-P-C4' energy: -154.093
flat angles P-C4'-P energy: -115.435
tors. eta vs tors. theta energy: -229.533
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. 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: -2520.093875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.093875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.138026 (E_RNA)
where:
Base-Base interactions energy: -1769.070
where: short stacking energy: -734.501
Base-Backbone interact. energy: 1.047
local terms energy: -762.115049
where:
bonds (distance) C4'-P energy: -133.288
bonds (distance) P-C4' energy: -127.454
flat angles C4'-P-C4' energy: -163.029
flat angles P-C4'-P energy: -99.921
tors. eta vs tors. theta energy: -238.424
Dist. restrs. and SS energy: 10.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -2470.881422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.881422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.262930 (E_RNA)
where:
Base-Base interactions energy: -1752.834
where: short stacking energy: -713.614
Base-Backbone interact. energy: -1.506
local terms energy: -720.922827
where:
bonds (distance) C4'-P energy: -122.285
bonds (distance) P-C4' energy: -126.233
flat angles C4'-P-C4' energy: -141.289
flat angles P-C4'-P energy: -109.676
tors. eta vs tors. theta energy: -221.439
Dist. restrs. and SS energy: 4.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -2365.417210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.417210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.997662 (E_RNA)
where:
Base-Base interactions energy: -1653.274
where: short stacking energy: -647.431
Base-Backbone interact. energy: 1.799
local terms energy: -717.522501
where:
bonds (distance) C4'-P energy: -130.160
bonds (distance) P-C4' energy: -114.622
flat angles C4'-P-C4' energy: -156.356
flat angles P-C4'-P energy: -103.536
tors. eta vs tors. theta energy: -212.849
Dist. restrs. and SS energy: 3.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -2242.822808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.822808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.091629 (E_RNA)
where:
Base-Base interactions energy: -1596.977
where: short stacking energy: -652.246
Base-Backbone interact. energy: -0.376
local terms energy: -653.738073
where:
bonds (distance) C4'-P energy: -121.934
bonds (distance) P-C4' energy: -112.986
flat angles C4'-P-C4' energy: -151.021
flat angles P-C4'-P energy: -74.921
tors. eta vs tors. theta energy: -192.875
Dist. restrs. and SS energy: 8.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -2182.238018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.238018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.454331 (E_RNA)
where:
Base-Base interactions energy: -1546.898
where: short stacking energy: -611.868
Base-Backbone interact. energy: 0.048
local terms energy: -644.604757
where:
bonds (distance) C4'-P energy: -100.768
bonds (distance) P-C4' energy: -128.581
flat angles C4'-P-C4' energy: -132.538
flat angles P-C4'-P energy: -93.930
tors. eta vs tors. theta energy: -188.788
Dist. restrs. and SS energy: 9.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -2088.457006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.457006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.397062 (E_RNA)
where:
Base-Base interactions energy: -1475.525
where: short stacking energy: -590.961
Base-Backbone interact. energy: -3.691
local terms energy: -623.180925
where:
bonds (distance) C4'-P energy: -113.737
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -137.571
flat angles P-C4'-P energy: -79.274
tors. eta vs tors. theta energy: -178.011
Dist. restrs. and SS energy: 13.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 10 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 99243118
moves confirmed later: 105922236
all moves confirmed: 205165354
percent of confirmed moves: 25.645669
current total energy: -2716.636080
recalc. total energy: -2716.636080
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 93774060
moves confirmed later: 99449072
all moves confirmed: 193223132
percent of confirmed moves: 24.152891
current total energy: -2616.189942
recalc. total energy: -2616.189942
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 97922513
moves confirmed later: 104662240
all moves confirmed: 202584753
percent of confirmed moves: 25.323094
current total energy: -2597.438920
recalc. total energy: -2597.438920
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 101855355
moves confirmed later: 109476506
all moves confirmed: 211331861
percent of confirmed moves: 26.416483
current total energy: -2483.346150
recalc. total energy: -2483.346150
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 99294609
moves confirmed later: 106142104
all moves confirmed: 205436713
percent of confirmed moves: 25.679589
current total energy: -2461.663346
recalc. total energy: -2461.663346
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 113828349
moves confirmed later: 123910491
all moves confirmed: 237738840
percent of confirmed moves: 29.717355
current total energy: -2341.748749
recalc. total energy: -2341.748749
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 103764751
moves confirmed later: 111894224
all moves confirmed: 215658975
percent of confirmed moves: 26.957372
current total energy: -2232.039867
recalc. total energy: -2232.039867
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 113482550
moves confirmed later: 123991548
all moves confirmed: 237474098
percent of confirmed moves: 29.684262
current total energy: -2127.109692
recalc. total energy: -2127.109692
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 122785684
moves confirmed later: 135104946
all moves confirmed: 257890630
percent of confirmed moves: 32.236329
current total energy: -2112.721825
recalc. total energy: -2112.721825
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 104831277
moves confirmed later: 113052088
all moves confirmed: 217883365
percent of confirmed moves: 27.235421
current total energy: -2028.071463
recalc. total energy: -2028.071463
out arg RESULTS//1/3po_2-f514789b_01
Time of doing 8000000 iterations: 56376.678 seconds